2-methylbenzimidazole-1-carbonitrile

C9H7N3 — CID 10942715

IUPAC2-methylbenzimidazole-1-carbonitrile
SMILESCc1nc2ccccc2n1C#N
InChIInChI=1S/C9H7N3/c1-7-11-8-4-2-3-5-9(8)12(7)6-10/h2-5H,1H3
InChIKeyRVYIEANZYUQEEB-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.67
Rot. Bonds

About 2-methylbenzimidazole-1-carbonitrile

2-methylbenzimidazole-1-carbonitrile (PubChem CID 10942715) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-methylbenzimidazole-1-carbonitrile.

Molecular Properties

Compound Name2-methylbenzimidazole-1-carbonitrile
PubChem CID10942715
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-methylbenzimidazole-1-carbonitrile
SMILESCc1nc2ccccc2n1C#N
InChIInChI=1S/C9H7N3/c1-7-11-8-4-2-3-5-9(8)12(7)6-10/h2-5H,1H3
InChIKeyRVYIEANZYUQEEB-UHFFFAOYSA-N
XLogP1.67
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylbenzimidazole-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzimidazole-1-carbonitrile?
The IUPAC name of 2-methylbenzimidazole-1-carbonitrile (CID 10942715) is 2-methylbenzimidazole-1-carbonitrile.
What is the SMILES notation for 2-methylbenzimidazole-1-carbonitrile?
The canonical SMILES for 2-methylbenzimidazole-1-carbonitrile is Cc1nc2ccccc2n1C#N.
What is the InChIKey of 2-methylbenzimidazole-1-carbonitrile?
The InChIKey is RVYIEANZYUQEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-7-11-8-4-2-3-5-9(8)12(7)6-10/h2-5H,1H3.
What are the key properties of 2-methylbenzimidazole-1-carbonitrile?
2-methylbenzimidazole-1-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzimidazole-1-carbonitrile is sourced from PubChem (CID 10942715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).