chempirical

2-Hydroxymethyl-1-methyl-5-nitroimidazole

C5H7N3O3CAS 936-05-0157.13 g/mol

Open in Covalent MOL file
NN+OO−NHO
AlcoholNitro

Properties

Molecular formula
C5H7N3O3
Molar mass
157.13 g/mol
Exact mass
157.0487 Da
Melting point
116–117 °C
logP
-0.18Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
936-05-0
SMILES
Cn1c([N+](=O)[O-])cnc1CO
InChIKey
JSAQDPJIVQMBAY-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Imidazole-2-methanol, 1-methyl-5-nitro-
  • Imidazole-2-methanol, 1-methyl-5-nitro-
  • 1-Methyl-5-nitro-1H-imidazole-2-methanol
  • 1-Methyl-2-hydroxymethyl-5-nitroimidazole
  • 1-Methyl-5-nitro-2-imidazolemethanol
  • Hydroxydimetridazole
  • (1-Methyl-5-nitro-1H-imidazol-2-yl)-methanol
  • (1-Methyl-5-nitroimidazol-2-yl)methanol

Work with 2-Hydroxymethyl-1-methyl-5-nitroimidazole

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

Ronidazole7681-76-760 % similar Dimetridazole551-92-858 % similar Metronidazole443-48-147 % similar 3,5-Dimethyl-4-nitro-2-pyridinemethanol149082-03-143 % similar Secnidazole3366-95-842 % similar Ornidazole16773-42-538 % similar 4-Nitrobenzyl alcohol619-73-837 % similar 3,5-Dinitrobenzenemethanol71022-43-037 % similar

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

Elsewhere

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