chempirical

1H-Benzimidazole-2-carboxylic acid

C8H6N2O2CAS 2849-93-6162.15 g/mol

Open in Covalent MOL file
OOHNNH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
174 °C (decomposes)
logP
1.26Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
2849-93-6
SMILES
O=C(O)c1nc2ccccc2[nH]1
InChIKey
RHXSYTACTOMVLJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2-Benzimidazolecarboxylic acid
  • 2-Carboxybenzimidazole
  • NSC 31597
  • NSC 68183
  • Benzo[d]imidazole-2-carboxylic acid
  • 1H-Benzo[d]imidazole-2-carboxylic acid
  • 1H-1,3-Benzodiazole-2-carboxylic acid

Work with 1H-Benzimidazole-2-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

1H-Benzimidazole-2-propanoic acid23249-97-050 % similar 2-Benzimidazolinone615-16-747 % similar Indole-2-carboxylic acid1477-50-545 % similar Quinaldic acid93-10-745 % similar 1H-Benzimidazole-2-methanol4856-97-744 % similar 2-Phenylbenzimidazole716-79-044 % similar Benzoic acid65-85-044 % similar 1-Phenazinecarboxylic acid2538-68-344 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo[1,2-A]pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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