5-Aminobenzimidazole

C7H7N3CAS 934-22-5133.15 g/mol

Open in Covalent MOL file
H2NNNH
Primary amine

Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
Melting point
108–109 °C
Boiling point
222 °C (at 3.5 Torr)
logP
1.15Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
934-22-5
SMILES
Nc1ccc2nc[nH]c2c1
InChIKey
WFRXSXUDWCVSPI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)

Weigh it out

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

Names and synonyms

12 names
  • 1H-Benzimidazol-6-amine
  • Benzimidazole, 5-amino-
  • 1H-Benzimidazol-5-amine
  • Benzimidazole, 5(or 6)-amino-
  • 6-Aminobenzimidazole
  • NSC 231612
  • 1H-Benzimidazol-5-ylamine
  • 3H-Benzo[d]imidazol-5-amine
  • Benzimidazol-5-amine
  • 1H-Benzoimidazol-5-ylamine
  • 1H-1,3-Benzodiazol-6-amine
  • 1H-1,3-Benzodiazol-5-amine

Work with 5-Aminobenzimidazole

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

5-Chlorobenzimidazole4887-82-555 % similar 6-Bromo-1H-benzimidazole4887-88-155 % similar 5-Methylbenzimidazole614-97-155 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-250 % similar 5-Methoxybenzimidazole4887-80-350 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-450 % similar Benzimidazole51-17-248 % similar 6-Aminoquinoxaline6298-37-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 5-Methylbenzotriazole136-85-6 2,5-Diaminobenzonitrile14346-13-5 3,4-Diaminobenzonitrile17626-40-3 6-Amino-2-methylnicotinonitrile183428-90-2 1H-Indazol-5-amine19335-11-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook