6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid

C11H10ClN3O3 — CID 112757004

IUPAC6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid
SMILESCNC(=O)c1cc2nc(C(=O)O)n(C)c2cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-13-10(16)5-3-7-8(4-6(5)12)15(2)9(14-7)11(17)18/h3-4H,1-2H3,(H,13,16)(H,17,18)
InChIKeyYYJDMVIVWVYZSB-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.28
Rot. Bonds2

About 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid

6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid (PubChem CID 112757004) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid
PubChem CID112757004
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid
SMILESCNC(=O)c1cc2nc(C(=O)O)n(C)c2cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-13-10(16)5-3-7-8(4-6(5)12)15(2)9(14-7)11(17)18/h3-4H,1-2H3,(H,13,16)(H,17,18)
InChIKeyYYJDMVIVWVYZSB-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(methylcarbamoyl)-1-propan-2-ylbenzimidazole-2-carboxylic acid
CID 112757013
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
CID 83890942
5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
CID 66969095
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
methyl 3-[6-chloro-2-(1H-indazol-6-yl)-5-(methylcarbamoyl)benzimidazol-1-yl]propanoate
CID 156771526
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid?
The IUPAC name of 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid (CID 112757004) is 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid is CNC(=O)c1cc2nc(C(=O)O)n(C)c2cc1Cl.
What is the InChIKey of 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid?
The InChIKey is YYJDMVIVWVYZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-13-10(16)5-3-7-8(4-6(5)12)15(2)9(14-7)11(17)18/h3-4H,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid?
6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-5-(methylcarbamoyl)benzimidazole-2-carboxylic acid is sourced from PubChem (CID 112757004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).