2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid

C13H8BrN3O2 — CID 55153437

IUPAC2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1
InChIInChI=1S/C13H8BrN3O2/c14-8-2-4-10(15-6-8)12-16-9-3-1-7(13(18)19)5-11(9)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyJGLPTGZCNXKFGA-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.09
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid

2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 55153437) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID55153437
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1
InChIInChI=1S/C13H8BrN3O2/c14-8-2-4-10(15-6-8)12-16-9-3-1-7(13(18)19)5-11(9)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyJGLPTGZCNXKFGA-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-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-[1-(5-bromo-2-pyridinyl)-2-phenylethyl]-3H-benzimidazole-5-carboxylic acid
CID 130339612
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid (CID 55153437) is 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Br)cn3)[nH]c2c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is JGLPTGZCNXKFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-8-2-4-10(15-6-8)12-16-9-3-1-7(13(18)19)5-11(9)17-12/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid?
2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-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-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 55153437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).