4-chloro-1-phenylbenzimidazole

C13H9ClN2 — CID 5328459

IUPAC4-chloro-1-phenylbenzimidazole
SMILESClc1cccc2c1ncn2-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-11-7-4-8-12-13(11)15-9-16(12)10-5-2-1-3-6-10/h1-9H
InChIKeyFXQWLNIXEMEVKT-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.68
Rot. Bonds1

About 4-chloro-1-phenylbenzimidazole

4-chloro-1-phenylbenzimidazole (PubChem CID 5328459) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-1-phenylbenzimidazole.

Molecular Properties

Compound Name4-chloro-1-phenylbenzimidazole
PubChem CID5328459
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name4-chloro-1-phenylbenzimidazole
SMILESClc1cccc2c1ncn2-c1ccccc1
InChIInChI=1S/C13H9ClN2/c14-11-7-4-8-12-13(11)15-9-16(12)10-5-2-1-3-6-10/h1-9H
InChIKeyFXQWLNIXEMEVKT-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-phenylbenzimidazole 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 4-chloro-1-phenylbenzimidazole?
The IUPAC name of 4-chloro-1-phenylbenzimidazole (CID 5328459) is 4-chloro-1-phenylbenzimidazole.
What is the SMILES notation for 4-chloro-1-phenylbenzimidazole?
The canonical SMILES for 4-chloro-1-phenylbenzimidazole is Clc1cccc2c1ncn2-c1ccccc1.
What is the InChIKey of 4-chloro-1-phenylbenzimidazole?
The InChIKey is FXQWLNIXEMEVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-11-7-4-8-12-13(11)15-9-16(12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 4-chloro-1-phenylbenzimidazole?
4-chloro-1-phenylbenzimidazole has a molecular weight of 228.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenylbenzimidazole is sourced from PubChem (CID 5328459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).