2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile

C16H15N3S — CID 39157935

IUPAC2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(Cc3cccs3)n(CC#N)c2cc1C
InChIInChI=1S/C16H15N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,6,10H2,1-2H3
InChIKeyPWZNXMVJJLLMPD-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.83
Rot. Bonds3

About 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile

2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 39157935) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
PubChem CID39157935
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(Cc3cccs3)n(CC#N)c2cc1C
InChIInChI=1S/C16H15N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,6,10H2,1-2H3
InChIKeyPWZNXMVJJLLMPD-UHFFFAOYSA-N
XLogP3.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82145246
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
1-tert-butyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65039997
2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 92635833
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
3-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145169
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157949
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile (CID 39157935) is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile is Cc1cc2nc(Cc3cccs3)n(CC#N)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is PWZNXMVJJLLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-8-14-15(9-12(11)2)19(6-5-17)16(18-14)10-13-4-3-7-20-13/h3-4,7-9H,6,10H2,1-2H3.
What are the key properties of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile?
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 281.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 39157935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).