chempirical

1H-Benzimidazole-5-carboxylic acid

C8H6N2O2CAS 15788-16-6162.15 g/mol

Open in Covalent MOL file
OHONNH
AlcoholCarboxylic 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

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

Same formula

2,3-Dihydro-1,4-phthalazinedione1445-69-8 Quinoxalinedione15804-19-0 Pyrazolo[1,5-A]pyridine-3-carboxylic acid16205-46-2 N-Aminophthalimide1875-48-5 2-Methyl-6-nitrobenzonitrile1885-76-3 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-1 3-Aminophthalimide2518-24-3 4-Methyl-2-nitrobenzonitrile26830-95-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook