1-benzylbenzimidazole-2-carbonitrile

C15H11N3 — CID 15363638

IUPAC1-benzylbenzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H11N3/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyGTQLCZRSSFJFIL-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.96
Rot. Bonds2

About 1-benzylbenzimidazole-2-carbonitrile

1-benzylbenzimidazole-2-carbonitrile (PubChem CID 15363638) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-benzylbenzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1-benzylbenzimidazole-2-carbonitrile
PubChem CID15363638
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name1-benzylbenzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C15H11N3/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyGTQLCZRSSFJFIL-UHFFFAOYSA-N
XLogP2.96
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzylbenzimidazole-2-carbonitrile 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

1-benzyl-2-chlorobenzimidazole
CID 3821987
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
3-benzyl-4-oxothieno[3,2-d]pyrimidine-2-carbonitrile
CID 10706927
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-2-propylbenzimidazole
CID 764560
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789

Frequently Asked Questions

What is the IUPAC name of 1-benzylbenzimidazole-2-carbonitrile?
The IUPAC name of 1-benzylbenzimidazole-2-carbonitrile (CID 15363638) is 1-benzylbenzimidazole-2-carbonitrile.
What is the SMILES notation for 1-benzylbenzimidazole-2-carbonitrile?
The canonical SMILES for 1-benzylbenzimidazole-2-carbonitrile is N#Cc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzylbenzimidazole-2-carbonitrile?
The InChIKey is GTQLCZRSSFJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,11H2.
What are the key properties of 1-benzylbenzimidazole-2-carbonitrile?
1-benzylbenzimidazole-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylbenzimidazole-2-carbonitrile is sourced from PubChem (CID 15363638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).