2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile

C14H7BrClN3 — CID 79004257

IUPAC2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1
InChIInChI=1S/C14H7BrClN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyPEFCZWBJUNCOSW-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.52
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile

2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004257) has the molecular formula C14H7BrClN3 and a molecular weight of 332.59 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004257
Molecular FormulaC14H7BrClN3
Molecular Weight332.59 g/mol
Exact Mass330.95
IUPAC Name2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1
InChIInChI=1S/C14H7BrClN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyPEFCZWBJUNCOSW-UHFFFAOYSA-N
XLogP4.52
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-chlorophenyl)-3H-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-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(2-bromo-5-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004192
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694
2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile (CID 79004257) is 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is PEFCZWBJUNCOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 332.59 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).