6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile

C14H10N4 — CID 64722293

IUPAC6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESCc1cccc2[nH]c(-c3ccc(C#N)cn3)nc12
InChIInChI=1S/C14H10N4/c1-9-3-2-4-11-13(9)18-14(17-11)12-6-5-10(7-15)8-16-12/h2-6,8H,1H3,(H,17,18)
InChIKeyYJXOEEAZOREDTL-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.81
Rot. Bonds1

About 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile

6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile (PubChem CID 64722293) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
PubChem CID64722293
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESCc1cccc2[nH]c(-c3ccc(C#N)cn3)nc12
InChIInChI=1S/C14H10N4/c1-9-3-2-4-11-13(9)18-14(17-11)12-6-5-10(7-15)8-16-12/h2-6,8H,1H3,(H,17,18)
InChIKeyYJXOEEAZOREDTL-UHFFFAOYSA-N
XLogP2.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-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 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile (CID 64722293) is 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile is Cc1cccc2[nH]c(-c3ccc(C#N)cn3)nc12.
What is the InChIKey of 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is YJXOEEAZOREDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-9-3-2-4-11-13(9)18-14(17-11)12-6-5-10(7-15)8-16-12/h2-6,8H,1H3,(H,17,18).
What are the key properties of 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 64722293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).