2-Hydroxymethyl-1-methyl-5-nitroimidazole

C₅H₇N₃O₃CAS 936-05-0157.13 g/mol

Open in Covalent MOL file

Alcohol Nitro

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers
H341 Suspected of causing genetic defects20% of notifiers
H351 Suspected of causing cancer20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-538 % similar (1-Methyl-1H-imidazol-2-yl)methanol17334-08-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate137156-41-3 5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester4970-53-0

Elsewhere

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