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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

1-(1H-Benzimidazol-2-yl)ethanone939-70-860 % similar 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-451 % similar 1H-Benzimidazole-2-propanoic acid23249-97-050 % similar (2-Benzimidazolylthio)-acetic acid3042-00-048 % similar Acridine-9-carboxylic acid5336-90-347 % similar 2-Benzimidazolinone615-16-747 % similar Indole-2-carboxylic acid1477-50-545 % similar 2-Quinoxalinecarboxylic acid879-65-245 % 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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