Chembase list of 866358 unique molecular structures

1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C12H14N2OS

Suppliers	Catalog Number
Enamine	EN300-12629

Database	Data ID
PubChem	4962006

M. W.

234.31736

CAS

Similarity

N/A

ID: 247102

5-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-126291

Database	Data ID
PubChem	22831927

M. W.

216.23588

CAS

Similarity

N/A

ID: 247103

1-(3-bromo-5-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Enamine	EN300-126292

Database	Data ID
PubChem	65816261

M. W.

231.0616232

CAS

Similarity

N/A

ID: 247104

2,6-dimethoxy-3-sulfamoylbenzoic acid

$$$$ Data

M. F.

C9H11NO6S

Suppliers	Catalog Number
Enamine	EN300-126293

Database	Data ID
PubChem	16777828

M. W.

261.25174

CAS

Similarity

N/A

ID: 247105

3-chloro-2-fluoro-5-nitrobenzoic acid

$$$$ Data

M. F.

C7H3ClFNO4

Suppliers	Catalog Number
Enamine	EN300-126294

Database	Data ID
PubChem	59783973

M. W.

219.5544232

CAS

Similarity

N/A

ID: 247106

methyl[1-(naphthalen-1-yl)ethyl]amine

$$$$ Data

M. F.

C13H15N

Suppliers	Catalog Number
Enamine	EN300-126295

Database	Data ID
PubChem	4360589

M. W.

185.2649

CAS

Similarity

N/A

ID: 247107

4-chloro-2,3-dihydro-1H-indene-1-carboxylic acid

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Enamine	EN300-126296

Database	Data ID
PubChem	12397733

M. W.

196.63026

CAS

Similarity

N/A

ID: 247108

6-amino-1-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-1,2,3,4-tetrahydropyrimidine-2,4-...

$$$$ Data

M. F.

C13H19N3O2

Suppliers	Catalog Number
Enamine	EN300-126297

Database	Data ID
PubChem	43200209

M. W.

249.30886

CAS

Similarity

N/A

ID: 247109

methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

$$$$ Data

M. F.

C13H14O3

Suppliers	Catalog Number
Enamine	EN300-126298

Database	Data ID
PubChem	10104791

M. W.

218.24846

CAS

Similarity

N/A

ID: 247110

2-methyl-5-(methylsulfanyl)aniline

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
Enamine	EN300-126299

Database	Data ID
PubChem	62911126

M. W.

153.24464

CAS

Similarity

N/A

ID: 247111

1-(3-chloro-4-methylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C10H9ClN2OS

Suppliers	Catalog Number
Enamine	EN300-12630

Database	Data ID
PubChem	4962007

M. W.

240.70926

CAS

Similarity

N/A

ID: 247112

2-ethylheptanoic acid

$$$$ Data

M. F.

C9H18O2

Suppliers	Catalog Number
Enamine	EN300-126300

Database	Data ID
PubChem	18648

M. W.

158.23802

CAS

Similarity

N/A

ID: 247113

tert-butyl 3-(aminomethyl)benzoate hydrochloride

$$$$ Data

M. F.

C12H18ClNO2

Suppliers	Catalog Number
Enamine	EN300-126301

Database	Data ID
PubChem	67361157

M. W.

243.72982

CAS

Similarity

N/A

ID: 247114

9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride

$$$$ Data

M. F.

C10H13Cl2NO

Suppliers	Catalog Number
Enamine	EN300-126303

Database	Data ID
PubChem	71758150

M. W.

234.12232

CAS

Similarity

N/A

ID: 247115

3-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C4H6N2O2

Suppliers	Catalog Number
ChemBridge	4048943
Enamine	EN300-126304
A&J Pharmtech	AJA-O36768

Database	Data ID
PubChem	138851

M. W.

114.10264

CAS

6843-45-4

Similarity

N/A

ID: 247116

[2-(4-iodo-1H-pyrazol-1-yl)ethyl]dimethylamine

$$$$ Data

M. F.

C7H12IN3

Suppliers	Catalog Number
Enamine	EN300-126305
Bide Pharmatech	BD241264
A&J Pharmtech	AJA-O9205

Database	Data ID
PubChem	64431198

M. W.

265.09475

CAS

879488-19-4

Similarity

N/A

ID: 247117

1-chloro-4-iodo-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H3ClF3I

Suppliers	Catalog Number
Enamine	EN300-126306
Bide Pharmatech	BD73200

Database	Data ID
PubChem	43145392

M. W.

306.4513996

CAS

260355-20-2

Similarity

N/A

ID: 247118

7-chloro-8-methylquinolin-2-amine

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Enamine	EN300-126307

Database	Data ID
PubChem	64209528

M. W.

192.64486

CAS

Similarity

N/A

ID: 247119

4-(naphthalen-2-yl)butanoic acid

$$$$ Data

M. F.

C14H14O2

Suppliers	Catalog Number
Enamine	EN300-126308

Database	Data ID
PubChem	220395

M. W.

214.25976

CAS

Similarity

N/A

ID: 247120

methyl 2-hydrazinylbenzoate hydrochloride

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-126309

Database	Data ID
PubChem	71758151

M. W.

202.63814

CAS

Similarity

N/A

ID: 247121

4-chloro-3-oxo-2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}butanenitrile

$$$$ Data

M. F.

C11H13ClN4O

Suppliers	Catalog Number
Enamine	EN300-12631

Database	Data ID
PubChem	4962008

M. W.

252.70012

CAS

Similarity

N/A

ID: 247122

2,2-dimethyl-1-(4-methylphenyl)propan-1-ol

$$$$ Data

M. F.

C12H18O

Suppliers	Catalog Number
Enamine	EN300-126310

Database	Data ID
PubChem	10397360

M. W.

178.27072

CAS

Similarity

N/A

ID: 247123

3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]aniline dihydrochloride

$$$$ Data

M. F.

C14H24Cl2N2

Suppliers	Catalog Number
Enamine	EN300-126311

Database	Data ID
PubChem	71758152

M. W.

291.25976

CAS

Similarity

N/A

ID: 247124

2-[3-(pyridin-4-ylmethoxy)phenyl]acetic acid

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Enamine	EN300-126312

Database	Data ID
PubChem	61398183

M. W.

243.25792

CAS

Similarity

N/A

ID: 247125

2-(3,4-dichlorophenyl)cyclopentan-1-one

$$$$ Data

M. F.

C11H10Cl2O

Suppliers	Catalog Number
Enamine	EN300-126313

Database	Data ID
PubChem	62604203

M. W.

229.1025

CAS

Similarity

N/A

ID: 247126

hept-6-en-2-amine

$$$$ Data

M. F.

C7H15N

Suppliers	Catalog Number
Enamine	EN300-126314

Database	Data ID
PubChem	54516059

M. W.

113.2007

CAS

Similarity

N/A

ID: 247127

(2S)-1-(morpholin-4-yl)propan-2-ol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-126315

Database	Data ID
PubChem	6950692

M. W.

145.1995

CAS

Similarity

N/A

ID: 247128

O-(butan-2-yl)hydroxylamine hydrochloride

$$$$ Data

M. F.

C4H12ClNO

Suppliers	Catalog Number
Enamine	EN300-126316

Database	Data ID
PubChem	22415893

M. W.

125.59718

CAS

Similarity

N/A

ID: 247129

(2R)-1-(morpholin-4-yl)propan-2-ol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-126317

Database	Data ID
PubChem	6950694

M. W.

145.1995

CAS

Similarity

N/A

ID: 247130

1-cyclopropylprop-2-en-1-ol

$$$$ Data

M. F.

C6H10O

Suppliers	Catalog Number
Enamine	EN300-126318

Database	Data ID
PubChem	12774540

M. W.

98.143

CAS

Similarity

N/A

ID: 247131

2-(3,4-dichlorophenyl)propan-1-ol

$$$$ Data

M. F.

C9H10Cl2O

Suppliers	Catalog Number
Enamine	EN300-126319

Database	Data ID
PubChem	66439138

M. W.

205.0811

CAS

Similarity

N/A

ID: 247132

5-[4-(propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C11H13N3S

Suppliers	Catalog Number
Enamine	EN300-12632

Database	Data ID
PubChem	879437

M. W.

219.30602

CAS

100987-89-1

Similarity

N/A

ID: 247133

3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one

$$$$ Data

M. F.

C10H14O

Suppliers	Catalog Number
Enamine	EN300-126320

Database	Data ID
PubChem	381152

M. W.

150.21756

CAS

Similarity

N/A

ID: 247134

4-(bromomethyl)-1,1-dimethylcyclohexane

$$$$ Data

M. F.

C9H17Br

Suppliers	Catalog Number
Enamine	EN300-126321

Database	Data ID
PubChem	66469450

M. W.

205.13528

CAS

Similarity

N/A

ID: 247135

1-(pyridin-3-yl)propan-2-ol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Enamine	EN300-126322

Database	Data ID
PubChem	62553063

M. W.

137.17904

CAS

Similarity

N/A

ID: 247136

4-bromo-N,2-dimethylbenzamide

$$$$ Data

M. F.

C9H10BrNO

Suppliers	Catalog Number
Enamine	EN300-126324

Database	Data ID
PubChem	57516534

M. W.

228.0858

CAS

Similarity

N/A

ID: 247137

2-({5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid

$$$$ Data

M. F.

C12H13N3O2S2

Suppliers	Catalog Number
Enamine	EN300-126325

Database	Data ID
PubChem	28830428

M. W.

295.38052

CAS

Similarity

N/A

ID: 247138

(2S)-1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)pyrrolidine-2-carboxylic a...

$$$$ Data

M. F.

C12H14N2O4

Suppliers	Catalog Number
Enamine	EN300-126326

Database	Data ID
PubChem	71685605

M. W.

250.25056

CAS

Similarity

N/A

ID: 247139

3-chloroprop-1-ene-2-sulfonyl chloride

$$$$ Data

M. F.

C3H4Cl2O2S

Suppliers	Catalog Number
Enamine	EN300-126327

Database	Data ID
PubChem	55280037

M. W.

175.03366

CAS

Similarity

N/A

ID: 247140

2-methyl-6-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C8H10F3N3

Suppliers	Catalog Number
Enamine	EN300-126329

Database	Data ID
PubChem	18071381

M. W.

205.1803096

CAS

Similarity

N/A

ID: 247141

5-(chloromethyl)-3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazole

$$$$ Data

M. F.

C12H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-12633

Database	Data ID
PubChem	4962009

M. W.

236.69742

CAS

Similarity

N/A

ID: 247142

1,3-dichloropropane-2-sulfonyl chloride

$$$$ Data

M. F.

C3H5Cl3O2S

Suppliers	Catalog Number
Enamine	EN300-126330

Database	Data ID
PubChem	55280261

M. W.

211.4946

CAS

Similarity

N/A

ID: 247143

2-cyclopropylpropanenitrile

$$$$ Data

M. F.

C6H9N

Suppliers	Catalog Number
Enamine	EN300-126331

Database	Data ID
PubChem	22718913

M. W.

95.14236

CAS

Similarity

N/A

ID: 247144

1-(2,6-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

$$$$ Data

M. F.

C11H12N2OS

Suppliers	Catalog Number
Enamine	EN300-12634

Database	Data ID
PubChem	4962010

M. W.

220.29078

CAS

Similarity

N/A

ID: 247145

1-(3-fluorophenyl)-1H-imidazole-2-thiol

$$$$ Data

M. F.

C9H7FN2S

Suppliers	Catalog Number
Enamine	EN300-12635

Database	Data ID
PubChem	2737474

M. W.

194.2286832

CAS

17452-26-5

Similarity

N/A

ID: 247146

3-fluoro-2-(methylamino)benzamide

$$$$ Data

M. F.

C8H9FN2O

Suppliers	Catalog Number
Enamine	EN300-126353

Database	Data ID
PubChem	62650272

M. W.

168.1682632

CAS

Similarity

N/A

ID: 247147

3-ethyl-4-nitropyridin-1-ium-1-olate

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
Enamine	EN300-126354

Database	Data ID
PubChem	147607

M. W.

168.15002

CAS

Similarity

N/A

ID: 247148

5-methylimidazo[1,5-a]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Enamine	EN300-126355

Database	Data ID
PubChem	71758153

M. W.

176.17202

CAS

Similarity

N/A

ID: 247149

2-(4-methylpiperazine-1-carbonyl)pyridin-4-amine

$$$$ Data

M. F.

C11H16N4O

Suppliers	Catalog Number
Enamine	EN300-126356

Database	Data ID
PubChem	62154156

M. W.

220.27094

CAS

Similarity

N/A

ID: 247150

3-(1H-indol-5-yl)propanoic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-126357

Database	Data ID
PubChem	22100892

M. W.

189.21054

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified