6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid

C10H9BrN2O2 — CID 83902984

IUPAC6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cc(Br)cc(C(=O)O)c2n1C
InChIInChI=1S/C10H9BrN2O2/c1-5-12-8-4-6(11)3-7(10(14)15)9(8)13(5)2/h3-4H,1-2H3,(H,14,15)
InChIKeySQVAWGPWTZCXRU-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.34
Rot. Bonds1

About 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid

6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid (PubChem CID 83902984) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
PubChem CID83902984
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cc(Br)cc(C(=O)O)c2n1C
InChIInChI=1S/C10H9BrN2O2/c1-5-12-8-4-6(11)3-7(10(14)15)9(8)13(5)2/h3-4H,1-2H3,(H,14,15)
InChIKeySQVAWGPWTZCXRU-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
2,5-dibromo-3-methylbenzoic acid
CID 11850381
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
CID 83902590
(6,7-difluoro-1,2-dimethylbenzimidazol-5-yl)boronic acid
CID 75485978
7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylic acid
CID 75487828
3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705
6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184295
6-bromo-1-methylbenzotriazole-4-carboxylic acid
CID 135368087
1,2,5-trimethylimidazole-4-carboxylic acid
CID 82595358
5-bromo-2-iodo-3-methylbenzoic acid
CID 51000141
6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
CID 84641063

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid?
The IUPAC name of 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid (CID 83902984) is 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid is Cc1nc2cc(Br)cc(C(=O)O)c2n1C.
What is the InChIKey of 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid?
The InChIKey is SQVAWGPWTZCXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-12-8-4-6(11)3-7(10(14)15)9(8)13(5)2/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid?
6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid has a molecular weight of 269.10 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 83902984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).