6-chloro-2-phenyl-1H-benzimidazole

C13H9ClN2 — CID 21041

IUPAC6-chloro-2-phenyl-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyJDNIQOQUBXARKT-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 6-chloro-2-phenyl-1H-benzimidazole

6-chloro-2-phenyl-1H-benzimidazole (PubChem CID 21041) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-phenyl-1H-benzimidazole
PubChem CID21041
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name6-chloro-2-phenyl-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyJDNIQOQUBXARKT-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-2-phenyl-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

Related Compounds

Bendazol
CID 12132
Clemizole
CID 2782
2-Phenylbenzimidazole
CID 12855
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
5-Chloro-2-methylbenzimidazole
CID 76063
Chlormidazole
CID 71821
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
5-chloro-1H-benzimidazole
CID 78599
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
Chlorflurazole
CID 19232
Chlorfenazole
CID 77123
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-1H-benzimidazole?
The IUPAC name of 6-chloro-2-phenyl-1H-benzimidazole (CID 21041) is 6-chloro-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-phenyl-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-phenyl-1H-benzimidazole is Clc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-phenyl-1H-benzimidazole?
The InChIKey is JDNIQOQUBXARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 6-chloro-2-phenyl-1H-benzimidazole?
6-chloro-2-phenyl-1H-benzimidazole has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 21041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).