4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid

C9H7BrN2O2 — CID 84635509

IUPAC4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
SMILESCc1cc(Br)c2nc(C(=O)O)[nH]c2c1
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5(10)7-6(3-4)11-8(12-7)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyIIAYRGCVHAHZGY-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.33
Rot. Bonds1

About 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid

4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid (PubChem CID 84635509) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
PubChem CID84635509
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
SMILESCc1cc(Br)c2nc(C(=O)O)[nH]c2c1
InChIInChI=1S/C9H7BrN2O2/c1-4-2-5(10)7-6(3-4)11-8(12-7)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyIIAYRGCVHAHZGY-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1H-imidazo[4,5-b]pyridine-2-carboxylic acid
CID 130958723
(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
CID 84629932
2-hexa-2,4-dien-3-yl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91304934
5-bromo-4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 118391328
5-methyl-1H-benzimidazole-2,4-dicarboxylic acid
CID 19759653
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
8-bromo-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1227056
4,5-diiodo-1H-benzimidazole-2-carboxylic acid
CID 130895280
4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 2723751
6-methyl-2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 84683704
2-ethynyl-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 91601812
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid (CID 84635509) is 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid is Cc1cc(Br)c2nc(C(=O)O)[nH]c2c1.
What is the InChIKey of 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid?
The InChIKey is IIAYRGCVHAHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-4-2-5(10)7-6(3-4)11-8(12-7)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid?
4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84635509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).