2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid

C13H8BrN3O2 — CID 107519628

IUPAC2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ncccc3Br)nc12
InChIInChI=1S/C13H8BrN3O2/c14-8-4-2-6-15-11(8)12-16-9-5-1-3-7(13(18)19)10(9)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyXVQPGANXFPEIOZ-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.09
Rot. Bonds2

About 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid

2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 107519628) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID107519628
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ncccc3Br)nc12
InChIInChI=1S/C13H8BrN3O2/c14-8-4-2-6-15-11(8)12-16-9-5-1-3-7(13(18)19)10(9)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyXVQPGANXFPEIOZ-UHFFFAOYSA-N
XLogP3.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
CID 67942842
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-(5-bromo-2-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 63399662
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 58073935
2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032970
2-sulfamoyl-1H-benzimidazole-4-carboxylic acid
CID 18355034
2-(3-bromo-2-pyridinyl)-1,3-benzoxazole-7-carboxylic acid
CID 107526450

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid (CID 107519628) is 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ncccc3Br)nc12.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is XVQPGANXFPEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-8-4-2-6-15-11(8)12-16-9-5-1-3-7(13(18)19)10(9)17-12/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 318.13 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107519628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).