1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile

C13H13N3 — CID 65034874

IUPAC1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
SMILESCC1CC1c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C13H13N3/c1-8-5-10(8)13-15-11-6-9(7-14)3-4-12(11)16(13)2/h3-4,6,8,10H,5H2,1-2H3
InChIKeyIAJXAMGNBWZMJU-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile

1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile (PubChem CID 65034874) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
PubChem CID65034874
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
SMILESCC1CC1c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C13H13N3/c1-8-5-10(8)13-15-11-6-9(7-14)3-4-12(11)16(13)2/h3-4,6,8,10H,5H2,1-2H3
InChIKeyIAJXAMGNBWZMJU-UHFFFAOYSA-N
XLogP2.57
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-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

2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
CID 107003447
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124
2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
CID 84621919
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645
N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
CID 166260961
3-methyl-2-(thiolan-2-yl)benzimidazole-5-carbonitrile
CID 104712309
2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65035683
1-tert-butyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756125
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile (CID 65034874) is 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile is CC1CC1c1nc2cc(C#N)ccc2n1C.
What is the InChIKey of 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile?
The InChIKey is IAJXAMGNBWZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-8-5-10(8)13-15-11-6-9(7-14)3-4-12(11)16(13)2/h3-4,6,8,10H,5H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile?
1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65034874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).