2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile

C15H9BrClN3 — CID 104712694

IUPAC2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2cc(Br)ccc2Cl)nc2ccc(C#N)cc21
InChIInChI=1S/C15H9BrClN3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)11-7-10(16)3-4-12(11)17/h2-7H,1H3
InChIKeyYTLVFONJIAZKJB-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.53
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile

2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712694) has the molecular formula C15H9BrClN3 and a molecular weight of 346.62 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712694
Molecular FormulaC15H9BrClN3
Molecular Weight346.62 g/mol
Exact Mass344.97
IUPAC Name2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2cc(Br)ccc2Cl)nc2ccc(C#N)cc21
InChIInChI=1S/C15H9BrClN3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)11-7-10(16)3-4-12(11)17/h2-7H,1H3
InChIKeyYTLVFONJIAZKJB-UHFFFAOYSA-N
XLogP4.53
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-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-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 107941806

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712694) is 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2cc(Br)ccc2Cl)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is YTLVFONJIAZKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)11-7-10(16)3-4-12(11)17/h2-7H,1H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile?
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 346.62 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).