Chembase list of 866358 unique molecular structures

benzyl N-[(4-formyl-1H-imidazol-2-yl)methyl]carbamate

$$$$

M. F.

C13H13N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20129

Database

Data ID

M. W.

259.26062

CAS

Similarity

N/A

ID: 803452

(4-bromo-1H-imidazol-2-yl)methanamine

$$$$

M. F.

C4H6BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20130

Database

Data ID

M. W.

176.01454

CAS

944903-88-2

Similarity

N/A

ID: 803453

benzyl N-{[4-(chloromethyl)-1H-imidazol-2-yl]methyl}carbamate

$$$$

M. F.

C13H14ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20131

Database

Data ID

M. W.

279.72216

CAS

Similarity

N/A

ID: 803454

2-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine

$$$$

M. F.

C10H10F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20132

Database

Data ID

M. W.

229.2017096

CAS

Similarity

N/A

ID: 803455

2-(5-bromo-1H-1,3-benzodiazol-2-yl)ethan-1-amine

$$$$

M. F.

C9H10BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20133

Database

Data ID

M. W.

240.0998

CAS

Similarity

N/A

ID: 803456

methyl 5-fluoro-1H-1,3-benzodiazole-2-carboxylate

$$$$

M. F.

C9H7FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20135 AJA-O29721

Database

Data ID

M. W.

194.1624832

CAS

885280-04-6

Similarity

N/A

ID: 803457

ethyl 5-(trifluoromethyl)-1H-1,3-benzodiazole-2-carboxylate

$$$$

M. F.

C11H9F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20136

Database

Data ID

M. W.

258.1965696

CAS

Similarity

N/A

ID: 803458

ethyl 2-(5-methoxy-1H-1,3-benzodiazol-2-yl)acetate

$$$$

M. F.

C12H14N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20137

Database

Data ID

M. W.

234.25116

CAS

Similarity

N/A

ID: 803459

2-[4-(propan-2-yl)-1H-imidazol-2-yl]ethan-1-amine

$$$$

M. F.

C8H15N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20138

Database

Data ID

M. W.

153.2248

CAS

Similarity

N/A

ID: 803460

2-(4-tert-butyl-1H-imidazol-2-yl)ethan-1-amine

$$$$

M. F.

C9H17N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20139

Database

Data ID

M. W.

167.25138

CAS

Similarity

N/A

ID: 803461

2-[4-(trifluoromethyl)-1H-imidazol-2-yl]ethan-1-amine

$$$$

M. F.

C6H8F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20140

Database

Data ID

M. W.

179.1430296

CAS

Similarity

N/A

ID: 803462

ethyl 2-(2-aminoethyl)-1H-imidazole-4-carboxylate

$$$$

M. F.

C8H13N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20141

Database

Data ID

M. W.

183.20772

CAS

Similarity

N/A

ID: 803463

benzyl N-[2-(4-formyl-1H-imidazol-2-yl)ethyl]carbamate

$$$$

M. F.

C14H15N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20142

Database

Data ID

M. W.

273.2872

CAS

Similarity

N/A

ID: 803464

2-(4-bromo-1H-imidazol-2-yl)ethan-1-amine

$$$$

M. F.

C5H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20143

Database

Data ID

M. W.

190.04112

CAS

Similarity

N/A

ID: 803465

benzyl N-{2-[4-(chloromethyl)-1H-imidazol-2-yl]ethyl}carbamate

$$$$

M. F.

C14H16ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20144

Database

Data ID

M. W.

293.74874

CAS

Similarity

N/A

ID: 803466

ethyl 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate

$$$$

M. F.

C6H5F3N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20145

Database

Data ID

M. W.

210.1107096

CAS

Similarity

N/A

ID: 803467

ethyl 1,3,4-oxadiazole-2-carboxylate

$$$$

M. F.

C5H6N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20146

Database

Data ID

M. W.

142.11274

CAS

Similarity

N/A

ID: 803468

ethyl 2-(1,3,4-oxadiazol-2-yl)acetate

$$$$

M. F.

C6H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20147

Database

Data ID

M. W.

156.13932

CAS

Similarity

N/A

ID: 803469

ethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate

$$$$

M. F.

C7H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20148

Database

Data ID

M. W.

170.1659

CAS

Similarity

N/A

ID: 803470

1-(2-amino-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C5H7N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20150

Database

Data ID

M. W.

125.12858

CAS

Similarity

N/A

ID: 803471

1-(2-hydroxy-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C5H6N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20151

Database

Data ID

M. W.

126.11334

CAS

Similarity

N/A

ID: 803472

1-[2-(methylsulfanyl)-1H-imidazol-5-yl]ethan-1-one

$$$$

M. F.

C6H8N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20152

Database

Data ID

M. W.

156.20552

CAS

944898-42-4

Similarity

N/A

ID: 803473

1-(2-methoxy-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C6H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20153

Database

Data ID

M. W.

140.13992

CAS

Similarity

N/A

ID: 803474

1-(2-phenyl-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C11H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20154

Database

Data ID

M. W.

186.2099

CAS

Similarity

N/A

ID: 803475

1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]ethan-1-one

$$$$

M. F.

C11H9FN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20155

Database

Data ID

M. W.

204.2003632

CAS

Similarity

N/A

ID: 803476

1-(2-methyl-1H-imidazol-5-yl)ethan-1-amine

$$$$

M. F.

C6H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20156

Database

Data ID

M. W.

125.17164

CAS

Similarity

N/A

ID: 803477

1-[2-(hydroxymethyl)-1H-imidazol-5-yl]ethan-1-one

$$$$

M. F.

C6H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20157

Database

Data ID

M. W.

140.13992

CAS

Similarity

N/A

ID: 803478

1-[2-(aminomethyl)-1H-imidazol-5-yl]ethan-1-one

$$$$

M. F.

C6H9N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20158

Database

Data ID

M. W.

139.15516

CAS

Similarity

N/A

ID: 803479

ethyl 5-acetyl-1H-imidazole-2-carboxylate

$$$$

M. F.

C8H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20159

Database

Data ID

M. W.

182.1766

CAS

Similarity

N/A

ID: 803480

5-acetyl-1H-imidazole-2-carbaldehyde

$$$$

M. F.

C6H6N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20160

Database

Data ID

M. W.

138.12404

CAS

Similarity

N/A

ID: 803481

1-(1-methyl-2-phenyl-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C12H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20161

Database

Data ID

M. W.

200.23648

CAS

Similarity

N/A

ID: 803482

1-[2-(4-fluorophenyl)-1-methyl-1H-imidazol-5-yl]ethan-1-one

$$$$

M. F.

C12H11FN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20162

Database

Data ID

M. W.

218.2269432

CAS

Similarity

N/A

ID: 803483

1-(1,2-dimethyl-1H-imidazol-5-yl)ethan-1-amine

$$$$

M. F.

C7H13N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20163

Database

Data ID

M. W.

139.19822

CAS

Similarity

N/A

ID: 803484

5-chloro-2-(4-chlorophenyl)-1H-imidazole

$$$$

M. F.

C9H6Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20164

Database

Data ID

M. W.

213.06334

CAS

Similarity

N/A

ID: 803485

5-chloro-2-(3-fluorophenyl)-1H-imidazole

$$$$

M. F.

C9H6ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20165

Database

Data ID

M. W.

196.6087432

CAS

Similarity

N/A

ID: 803486

5-chloro-2-(3-methoxyphenyl)-1H-imidazole

$$$$

M. F.

C10H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20166

Database

Data ID

M. W.

208.64426

CAS

Similarity

N/A

ID: 803487

5-chloro-2-(3-chlorophenyl)-1H-imidazole

$$$$

M. F.

C9H6Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20167

Database

Data ID

M. W.

213.06334

CAS

Similarity

N/A

ID: 803488

5-chloro-2-(3-methylphenyl)-1H-imidazole

$$$$

M. F.

C10H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20168

Database

Data ID

M. W.

192.64486

CAS

Similarity

N/A

ID: 803489

5-chloro-2-[3-(trifluoromethyl)phenyl]-1H-imidazole

$$$$

M. F.

C10H6ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20169

Database

Data ID

M. W.

246.6162496

CAS

Similarity

N/A

ID: 803490

5-chloro-2-(3-nitrophenyl)-1H-imidazole

$$$$

M. F.

C9H6ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20170

Database

Data ID

M. W.

223.61584

CAS

Similarity

N/A

ID: 803491

5-chloro-2-methyl-1H-imidazole

$$$$

M. F.

C4H5ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20171

Database

Data ID

M. W.

116.5489

CAS

Similarity

N/A

ID: 803492

2-benzyl-5-chloro-1H-imidazole

$$$$

M. F.

C10H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20172

Database

Data ID

M. W.

192.64486

CAS

Similarity

N/A

ID: 803493

2-tert-butyl-5-chloro-1H-imidazole

$$$$

M. F.

C7H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20173

Database

Data ID

M. W.

158.62864

CAS

Similarity

N/A

ID: 803494

5-chloro-2,4-dimethyl-1H-imidazole

$$$$

M. F.

C5H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20174

Database

Data ID

M. W.

130.57548

CAS

Similarity

N/A

ID: 803495

5-chloro-4-methyl-2-phenyl-1H-imidazole

$$$$

M. F.

C10H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20175

Database

Data ID

M. W.

192.64486

CAS

Similarity

N/A

ID: 803496

7-(chloromethyl)-1H-indazole

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20180

Database

Data ID

M. W.

166.60758

CAS

Similarity

N/A

ID: 803497

4-(chloromethyl)-1H-indazole

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20181

Database

Data ID

M. W.

166.60758

CAS

944898-78-6

Similarity

N/A

ID: 803498

5-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

$$$$

M. F.

C13H16BFN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20182

Database

Data ID

M. W.

262.0877432

CAS

Similarity

N/A

ID: 803499

6-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

$$$$

M. F.

C13H16BFN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20183

Database

Data ID

M. W.

262.0877432

CAS

Similarity

N/A

ID: 803500

5-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

$$$$

M. F.

C13H16BClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O20184

Database

Data ID

M. W.

278.54234

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