2-Amino-5-nitrobenzimidazole

C7H6N4O2CAS 6232-92-4178.15 g/mol

Open in Covalent MOL file
HNHNN+OO−NH
Nitro

Properties

Molecular formula
C7H6N4O2
Molar mass
178.15 g/mol
Exact mass
178.0491 Da
Melting point
222–223 °C (decomposes)
logP
0.88Crippen estimate
Polar surface area
98.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6232-92-4
SMILES
N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1
InChIKey
HSEDDANFWUMVCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)

Weigh it out

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Names and synonyms

9 names
  • 1H-Benzimidazol-2-amine, 6-nitro-
  • Benzimidazole, 2-amino-5-nitro-
  • 1H-Benzimidazol-2-amine, 5-nitro-
  • Benzimidazole, 2-amino-5(or 6)-nitro-
  • 6-Nitro-1H-benzimidazol-2-amine
  • 5-Nitro-2-benzimidazolamine
  • NSC 287065
  • 2-Amino-6-nitrobenzimidazole
  • 5-Nitro-1H-benzimidazol-2-amine

Work with 2-Amino-5-nitrobenzimidazole

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

2-Amino-6-nitrobenzothiazole6285-57-058 % similar 2-Nitrocarbazole14191-22-153 % similar 6-Nitroindole4769-96-451 % similar 5-Nitroindole6146-52-751 % similar 2-Methyl-5-nitroindole7570-47-051 % similar 6-Nitro-2-benzothiazolinone28620-12-450 % similar 2-Amino-5-nitropyridine4214-76-050 % similar 6-Nitro-benzooxazole-2-thiol14541-93-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tirapazamine27314-97-2 3-Amino-5-nitroindazole41339-17-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook