6-bromo-2-(2-chlorophenyl)-1H-benzimidazole

C13H8BrClN2 — CID 64723542

IUPAC6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrClN2/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,(H,16,17)
InChIKeyQJSWEQTZPMSROG-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.65
Rot. Bonds1

About 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole

6-bromo-2-(2-chlorophenyl)-1H-benzimidazole (PubChem CID 64723542) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
PubChem CID64723542
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
SMILESClc1ccccc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrClN2/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,(H,16,17)
InChIKeyQJSWEQTZPMSROG-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole 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-bromo-2-(2-chlorophenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole (CID 64723542) is 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole is Clc1ccccc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole?
The InChIKey is QJSWEQTZPMSROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-8-5-6-11-12(7-8)17-13(16-11)9-3-1-2-4-10(9)15/h1-7H,(H,16,17).
What are the key properties of 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole?
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole has a molecular weight of 307.58 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 64723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).