6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid

C10H9BrN2O2 — CID 123767002

IUPAC6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid
SMILESCc1cc(Br)cc2c1nc(C)n2C(=O)O
InChIInChI=1S/C10H9BrN2O2/c1-5-3-7(11)4-8-9(5)12-6(2)13(8)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyCKGBSQHJKHNIDG-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.94
Rot. Bonds

About 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid

6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid (PubChem CID 123767002) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid
PubChem CID123767002
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid
SMILESCc1cc(Br)cc2c1nc(C)n2C(=O)O
InChIInChI=1S/C10H9BrN2O2/c1-5-3-7(11)4-8-9(5)12-6(2)13(8)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyCKGBSQHJKHNIDG-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
CID 84641063
6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid
CID 86613186
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645044
6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
CID 131289686
6-bromo-4-fluoro-1,2-dimethylbenzimidazole
CID 146232538
5-bromo-2-chloro-3-methylbenzoyl chloride
CID 51000143
6-bromo-2-tert-butylindole-1-carboxylic acid
CID 53406128
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
1,2,4,6-tetramethylbenzimidazole
CID 58565379
2,5-dibromo-3-methylbenzoic acid
CID 11850381

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid?
The IUPAC name of 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid (CID 123767002) is 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid.
What is the SMILES notation for 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid?
The canonical SMILES for 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid is Cc1cc(Br)cc2c1nc(C)n2C(=O)O.
What is the InChIKey of 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid?
The InChIKey is CKGBSQHJKHNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-3-7(11)4-8-9(5)12-6(2)13(8)10(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid?
6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid has a molecular weight of 269.10 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid is sourced from PubChem (CID 123767002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).