4-bromo-2-chloro-1-methylbenzimidazole

C8H6BrClN2 — CID 58065696

IUPAC4-bromo-2-chloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2c(Br)cccc21
InChIInChI=1S/C8H6BrClN2/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3
InChIKeyRAIXLQWLPQPVME-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.99
Rot. Bonds

About 4-bromo-2-chloro-1-methylbenzimidazole

4-bromo-2-chloro-1-methylbenzimidazole (PubChem CID 58065696) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-methylbenzimidazole.

Molecular Properties

Compound Name4-bromo-2-chloro-1-methylbenzimidazole
PubChem CID58065696
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name4-bromo-2-chloro-1-methylbenzimidazole
SMILESCn1c(Cl)nc2c(Br)cccc21
InChIInChI=1S/C8H6BrClN2/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3
InChIKeyRAIXLQWLPQPVME-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-1-methylbenzimidazole 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-bromo-2-chloro-1-methylbenzimidazole?
The IUPAC name of 4-bromo-2-chloro-1-methylbenzimidazole (CID 58065696) is 4-bromo-2-chloro-1-methylbenzimidazole.
What is the SMILES notation for 4-bromo-2-chloro-1-methylbenzimidazole?
The canonical SMILES for 4-bromo-2-chloro-1-methylbenzimidazole is Cn1c(Cl)nc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2-chloro-1-methylbenzimidazole?
The InChIKey is RAIXLQWLPQPVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3.
What are the key properties of 4-bromo-2-chloro-1-methylbenzimidazole?
4-bromo-2-chloro-1-methylbenzimidazole has a molecular weight of 245.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-methylbenzimidazole is sourced from PubChem (CID 58065696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).