1H-Benzimidazole-5-carboxylic acid

C8H6N2O2CAS 15788-16-6162.15 g/mol

Open in Covalent MOL file
OHONNH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
Melting point
325 °C (decomposes)
logP
1.26Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15788-16-6
SMILES
O=C(O)c1ccc2nc[nH]c2c1
InChIKey
COYPLDIXZODDDL-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

9 names
  • 1H-Benzimidazole-6-carboxylic acid
  • 5-Carboxybenzimidazole
  • 3H-Benzimidazole-5-carboxylic acid
  • Benzimidazole-6-carboxylic acid
  • 3H-Benzo[d]imidazole-5-carboxylic acid
  • 1H-7-Benzo[d]imidazole-6-carboxylic acid
  • 1H-1,3-Benzodiazole-5-carboxylic acid
  • 1H-1,3-Benzodiazole-6-carboxylic acid
  • 5-Benzimidazolecarboxylic acid

Work with 1H-Benzimidazole-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

Benzimidazole-5,6-dicarboxylic acid10351-75-461 % similar Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-457 % similar 6-Quinoxalinecarboxylic acid6925-00-456 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-454 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-554 % similar Benzotriazole-5-carboxylic acid23814-12-254 % similar 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-354 % similar 1H-Indole-6-carboxylic acid1670-82-253 % 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-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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