6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid

C10H9ClN2O2 — CID 84624653

IUPAC6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
SMILESCc1c(Cl)ccc2nc(C(=O)O)n(C)c12
InChIInChI=1S/C10H9ClN2O2/c1-5-6(11)3-4-7-8(5)13(2)9(12-7)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyAJHHNFFLMLFFBB-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.23
Rot. Bonds1

About 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid

6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid (PubChem CID 84624653) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
PubChem CID84624653
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
SMILESCc1c(Cl)ccc2nc(C(=O)O)n(C)c12
InChIInChI=1S/C10H9ClN2O2/c1-5-6(11)3-4-7-8(5)13(2)9(12-7)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyAJHHNFFLMLFFBB-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84642739
(E)-3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84634044
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
(E)-3-(6-chloro-7-methyl-1-propan-2-ylbenzimidazol-2-yl)prop-2-enoic acid
CID 84642469
4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
CID 112741051
7-bromo-1-methylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 24903742
N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 112741115
(E)-3-(6-chloro-1,7-dimethylindol-2-yl)prop-2-enoic acid
CID 84741981
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
CID 84787286
6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid
CID 112757004
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175276829

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid?
The IUPAC name of 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid (CID 84624653) is 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid is Cc1c(Cl)ccc2nc(C(=O)O)n(C)c12.
What is the InChIKey of 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid?
The InChIKey is AJHHNFFLMLFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5-6(11)3-4-7-8(5)13(2)9(12-7)10(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid?
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid has a molecular weight of 224.65 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 84624653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).