5-bromo-1-phenylbenzimidazole

C13H9BrN2 — CID 12018171

IUPAC5-bromo-1-phenylbenzimidazole
SMILESBrc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H9BrN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H
InChIKeyOCVMHOYOAZUGSK-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.79
Rot. Bonds1

About 5-bromo-1-phenylbenzimidazole

5-bromo-1-phenylbenzimidazole (PubChem CID 12018171) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-bromo-1-phenylbenzimidazole
PubChem CID12018171
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name5-bromo-1-phenylbenzimidazole
SMILESBrc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H9BrN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H
InChIKeyOCVMHOYOAZUGSK-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-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 5-bromo-1-phenylbenzimidazole?
The IUPAC name of 5-bromo-1-phenylbenzimidazole (CID 12018171) is 5-bromo-1-phenylbenzimidazole.
What is the SMILES notation for 5-bromo-1-phenylbenzimidazole?
The canonical SMILES for 5-bromo-1-phenylbenzimidazole is Brc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 5-bromo-1-phenylbenzimidazole?
The InChIKey is OCVMHOYOAZUGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 5-bromo-1-phenylbenzimidazole?
5-bromo-1-phenylbenzimidazole has a molecular weight of 273.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenylbenzimidazole is sourced from PubChem (CID 12018171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).