chempirical

Benzimidazole-5,6-dicarboxylic acid

C9H6N2O4CAS 10351-75-4206.16 g/mol

Open in Covalent MOL file
HNNOOHOOH
Carboxylic acid

Properties

Molecular formula
C9H6N2O4
Molar mass
206.16 g/mol
Exact mass
206.0328 Da
logP
0.96Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
10351-75-4
SMILES
C1=C(C(=CC2=C1NC=N2)C(=O)O)C(=O)O
InChIKey
PIPQOFRJDBZPFR-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O4/c12-8(13)4-1-6-7(11-3-10-6)2-5(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

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Work with Benzimidazole-5,6-dicarboxylic 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

1H-Benzimidazole-5-carboxylic acid15788-16-661 % similar Imidazole-4,5-dicarboxylic acid570-22-944 % similar 5,6-Dimethylbenzimidazole582-60-543 % similar 4,5-Dichlorophthalic acid56962-08-441 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-040 % similar Trimellitic acid528-44-939 % similar 2,5-Dihydroxyterephthalic acid610-92-438 % similar 1H-Imidazole-5-carboxylic acid1072-84-038 % similar

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

Same formula

5-Nitroindole-2-carboxylic acid16730-20-4 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione41663-84-7 7-Nitro-1H-indole-2-carboxylic acid6960-45-8

Elsewhere

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