2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole

C13H10BrN3O2S — CID 62069162

IUPAC2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cncc(Br)c3)[nH]c2c1
InChIInChI=1S/C13H10BrN3O2S/c1-20(18,19)10-2-3-11-12(5-10)17-13(16-11)8-4-9(14)7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyTUYUGXDITNHCRI-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.79
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole

2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62069162) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID62069162
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cncc(Br)c3)[nH]c2c1
InChIInChI=1S/C13H10BrN3O2S/c1-20(18,19)10-2-3-11-12(5-10)17-13(16-11)8-4-9(14)7-15-6-8/h2-7H,1H3,(H,16,17)
InChIKeyTUYUGXDITNHCRI-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole (CID 62069162) is 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3cncc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is TUYUGXDITNHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-20(18,19)10-2-3-11-12(5-10)17-13(16-11)8-4-9(14)7-15-6-8/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole?
2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 352.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62069162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).