4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile

C15H12N4 — CID 63884032

IUPAC4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCc1nc2ccccc2n1Cc1ccnc(C#N)c1
InChIInChI=1S/C15H12N4/c1-11-18-14-4-2-3-5-15(14)19(11)10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3
InChIKeyZKXAOYSXBVHOMB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.66
Rot. Bonds2

About 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile

4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63884032) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63884032
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCc1nc2ccccc2n1Cc1ccnc(C#N)c1
InChIInChI=1S/C15H12N4/c1-11-18-14-4-2-3-5-15(14)19(11)10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3
InChIKeyZKXAOYSXBVHOMB-UHFFFAOYSA-N
XLogP2.66
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile (CID 63884032) is 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile is Cc1nc2ccccc2n1Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is ZKXAOYSXBVHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-11-18-14-4-2-3-5-15(14)19(11)10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3.
What are the key properties of 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzimidazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).