2-Methyl-5-nitroimidazole

C₄H₅N₃O₂CAS 88054-22-2127.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N₃O₂
Molar mass: 127.10 g/mol
Exact mass: 127.0382 Da
Melting point: 248 °C
logP: 0.63Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

88054-22-2

SMILES

Cc1ncc([N+](=O)[O-])[nH]1

InChIKey

FFYTTYVSDVWNMY-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

11 names

1H-Imidazole, 2-methyl-5-nitro-
Imidazole, 2-methyl-4-nitro-
1H-Imidazole, 2-methyl-4-nitro-
Imidazole, 2-methyl-4(or 5)-nitro-
2-Methyl-5-nitro-1H-imidazole
2-Methyl-4-nitroimidazole
RP 8532
Menidazole
2-Methyl-4-nitro-1H-imidazole
L 581490
4-Nitro-2-methylimidazole

Work with 2-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

2-Methyl-5-nitroimidazole696-23-1100 % similar 2,4-Dinitroimidazole5213-49-061 % similar 2-Chloro-4-nitroimidazole57531-37-058 % similar 2-Bromo-4-nitroimidazole65902-59-258 % similar Nitroimidazole3034-38-644 % similar 2,3-Dimethyl-5-nitropyridine89244-47-342 % similar 2,4-Dimethylimidazole930-62-142 % similar 5-Iodo-2-methyl-1H-imidazole73746-45-941 % similar

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

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 3-Methyl-4-nitro-1H-pyrazole5334-39-4 2-Amino-6-hydroxy-4(3H)-pyrimidinone56-09-7

Elsewhere

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