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dimethyl({5-[1-(6-methylpyridin-3-yl)-1H-imidazol-2-yl]thiophen-3-yl}methyl)amine

ChemBase ID: 322155
Molecular Formular: C16H18N4S
Molecular Mass: 298.40592
Monoisotopic Mass: 298.1252176
SMILES and InChIs

SMILES:
c1(n(c2cnc(cc2)C)ccn1)c1scc(c1)CN(C)C
Canonical SMILES:
CN(Cc1csc(c1)c1nccn1c1ccc(nc1)C)C
InChI:
InChI=1S/C16H18N4S/c1-12-4-5-14(9-18-12)20-7-6-17-16(20)15-8-13(11-21-15)10-19(2)3/h4-9,11H,10H2,1-3H3
InChIKey:
OJHLBNXDTKJQOG-UHFFFAOYSA-N

Cite this record

CBID:322155 http://www.chembase.cn/molecule-322155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({5-[1-(6-methylpyridin-3-yl)-1H-imidazol-2-yl]thiophen-3-yl}methyl)amine
IUPAC Traditional name
dimethyl({5-[1-(6-methylpyridin-3-yl)imidazol-2-yl]thiophen-3-yl}methyl)amine
Synonyms
N,N-dimethyl-1-{5-[1-(6-methylpyridin-3-yl)-1H-imidazol-2-yl]-3-thienyl}methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11249448 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 34.28126 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -0.8961074  LogD (pH = 7.4) 1.3130672 
Log P 2.393423  Molar Refractivity 106.9752 cm3
Polar Surface Area 33.95 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.75  LOG S -2.72 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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