chempirical

2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid

C9H8N2O2CAS 709-19-3176.17 g/mol

Open in Covalent MOL file
NNHOOH
Carboxylic acid

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
1.57Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
709-19-3
SMILES
CC1=NC2=C(N1)C=C(C=C2)C(=O)O
InChIKey
GZHWABCBKGMLIE-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)

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Names and synonyms

1 names
  • 2-Methylbenzimidazole-5-carboxylic acid

Work with 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-655 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-654 % similar 2-Methyl-6-quinolinecarboxylic acid635-80-351 % similar Benzotriazole-5-carboxylic acid23814-12-250 % similar 5-Chloro-2-methylbenzimidazole2818-69-150 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-450 % similar 2-Mercapto-5-benzimidazolecarboxylic acid58089-25-148 % similar 6-Quinoxalinecarboxylic acid6925-00-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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