chempirical

1,3-Dihydro-5-nitro-2H-benzimidazol-2-one

C7H5N3O3CAS 93-84-5179.14 g/mol

Open in Covalent MOL file
ON+O−NOHNH
NitroPhenol

Properties

Molecular formula
C7H5N3O3
Molar mass
179.14 g/mol
Exact mass
179.0331 Da
Melting point
308 °C
logP
1.18Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
93-84-5
SMILES
O=[N+]([O-])c1ccc2nc(O)[nH]c2c1
InChIKey
DLJZIPVEVJOKHB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)

Weigh it out

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

Names and synonyms

9 names
  • 2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-
  • 2-Benzimidazolinone, 5-nitro-
  • 5-Nitrobenzimidazol-2-one
  • 5-Nitro-2-benzimidazolinone
  • 2-Hydroxy-5-nitrobenzimidazole
  • NSC 10380
  • 5-Nitro-1,3-dihydrobenzimidazol-2-one
  • 5-Nitro-1,3-dihydro-2H-benzimidazol-2-one
  • 5-Nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one

Work with 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one

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-Mercapto-5-nitrobenzimidazole6325-91-365 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-560 % similar 5-Nitrobenzotriazole2338-12-754 % similar 5-Nitrobenzimidazole94-52-054 % similar 6-Nitro-2-benzoxazolone4694-91-150 % similar 5-Amino-2-benzimidazolinone95-23-850 % similar 6-Nitrobenzimidazole nitrate27896-84-049 % similar 2-Amino-5-nitrobenzimidazole6232-92-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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