1H-Benzoimidazole-4-carboxylic acid

C8H6N2O2CAS 46006-36-4162.15 g/mol

Open in Covalent MOL file
HNNOOH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
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 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
46006-36-4
SMILES
C1=CC(=C2C(=C1)NC=N2)C(=O)O
InChIKey
VVQNAFBGAWCMLU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(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

1 names
  • 1H-Benzimidazole-4-carboxylic acid

Work with 1H-Benzoimidazole-4-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-Pyrrolo(3,2-b)pyridine-3-carboxylic acid860496-20-461 % similar Benzimidazole-5,6-dicarboxylic acid10351-75-453 % similar Indole-4-carboxylic acid2124-55-253 % similar Quinoxaline-5-carboxylic acid6924-66-953 % similar 8-Quinolinecarboxylic acid86-59-953 % similar 1H-Indazole-4-carboxylic acid677306-38-650 % similar 1-Phenazinecarboxylic acid2538-68-349 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-647 % 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

PubChem CAS Common Chemistry NIST WebBook