1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole

C13H10BrN3 — CID 79753555

IUPAC1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncccc1Br
InChIInChI=1S/C13H10BrN3/c1-9-16-11-6-2-3-7-12(11)17(9)13-10(14)5-4-8-15-13/h2-8H,1H3
InChIKeyMHKHETYZGLJDRU-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.49
Rot. Bonds1

About 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole

1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole (PubChem CID 79753555) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
PubChem CID79753555
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncccc1Br
InChIInChI=1S/C13H10BrN3/c1-9-16-11-6-2-3-7-12(11)17(9)13-10(14)5-4-8-15-13/h2-8H,1H3
InChIKeyMHKHETYZGLJDRU-UHFFFAOYSA-N
XLogP3.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-2-pyridinyl)-2-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 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole (CID 79753555) is 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole?
The InChIKey is MHKHETYZGLJDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-16-11-6-2-3-7-12(11)17(9)13-10(14)5-4-8-15-13/h2-8H,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole?
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole has a molecular weight of 288.15 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole is sourced from PubChem (CID 79753555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).