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

C10H9BrN2O2 — CID 84641063

IUPAC6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
SMILESCc1cc(Br)cc2c1nc(C(=O)O)n2C
InChIInChI=1S/C10H9BrN2O2/c1-5-3-6(11)4-7-8(5)12-9(10(14)15)13(7)2/h3-4H,1-2H3,(H,14,15)
InChIKeyYTZZVKRSQQGWQP-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.34
Rot. Bonds1

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

6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid (PubChem CID 84641063) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
PubChem CID84641063
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
SMILESCc1cc(Br)cc2c1nc(C(=O)O)n2C
InChIInChI=1S/C10H9BrN2O2/c1-5-3-6(11)4-7-8(5)12-9(10(14)15)13(7)2/h3-4H,1-2H3,(H,14,15)
InChIKeyYTZZVKRSQQGWQP-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

6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid
CID 123767002
2-(6-bromo-4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 97179354
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
6-bromo-1-methylbenzotriazole-4-carboxylic acid
CID 135368087
6-bromo-4-fluoro-1,2-dimethylbenzimidazole
CID 146232538
6-bromo-2,3-dimethylbenzimidazole-4-carboxylic acid
CID 83902984
6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
1,2,4,6-tetramethylbenzimidazole
CID 58565379
2,5-dibromo-3-methylbenzoic acid
CID 11850381
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid?
The IUPAC name of 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid (CID 84641063) is 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid is Cc1cc(Br)cc2c1nc(C(=O)O)n2C.
What is the InChIKey of 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid?
The InChIKey is YTZZVKRSQQGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-3-6(11)4-7-8(5)12-9(10(14)15)13(7)2/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid?
6-bromo-1,4-dimethylbenzimidazole-2-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-1,4-dimethylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 84641063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).