2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile

C13H7ClN4 — CID 104720679

IUPAC2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccncc3Cl)nc12
InChIInChI=1S/C13H7ClN4/c14-10-7-16-5-4-9(10)13-17-11-3-1-2-8(6-15)12(11)18-13/h1-5,7H,(H,17,18)
InChIKeyDMGJYAHUDWEDDB-UHFFFAOYSA-N
MW254.68 g/mol
LogP3.15
Rot. Bonds1

About 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile

2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720679) has the molecular formula C13H7ClN4 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720679
Molecular FormulaC13H7ClN4
Molecular Weight254.68 g/mol
Exact Mass254.04
IUPAC Name2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccncc3Cl)nc12
InChIInChI=1S/C13H7ClN4/c14-10-7-16-5-4-9(10)13-17-11-3-1-2-8(6-15)12(11)18-13/h1-5,7H,(H,17,18)
InChIKeyDMGJYAHUDWEDDB-UHFFFAOYSA-N
XLogP3.15
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-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-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile (CID 104720679) is 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3ccncc3Cl)nc12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is DMGJYAHUDWEDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4/c14-10-7-16-5-4-9(10)13-17-11-3-1-2-8(6-15)12(11)18-13/h1-5,7H,(H,17,18).
What are the key properties of 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile?
2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 254.68 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).