1,3-Dihydro-2H-imidazol-2-one

C₃H₄N₂OCAS 5918-93-484.08 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₃H₄N₂O
Molar mass: 84.08 g/mol
Exact mass: 84.0324 Da
Melting point: 240–243 °C
logP: 0.12Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H360D May damage the unborn child33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5918-93-4

SMILES

Oc1ncc[nH]1

InChIKey

AICIYIDUYNFPRY-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)

Weigh it out

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

Names and synonyms

10 names

2H-Imidazol-2-one, 1,3-dihydro-
4-Imidazolin-2-one
ENT 27439
Shell SD 8591
SD 8591
2-Hydroxyimidazole
Imidazol-2-ol
1,3-Dihydroimidazol-2-one
NSC 111046
2,3-Dihydro-1H-imidazol-2-one

Work with 1,3-Dihydro-2H-imidazol-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

2,2'-Biimidazole492-98-848 % similar 1H-Imidazole-2-methanol3724-26-342 % similar 2-Chloro-1H-imidazole16265-04-642 % similar 2-Bromo-1H-imidazole16681-56-442 % similar 2-Iodo-1H-imidazole3034-62-642 % similar 2-Methylimidazole693-98-142 % similar 2-Imidazolidinethione872-35-542 % similar Cytosine71-30-739 % similar

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

Same formula

Cyanoacetamide107-91-5 Pyrazol-5-ol137-45-1 5-Isoxazolamine14678-05-8 3-Isoxazolamine1750-42-1 2-Oxazolamine4570-45-0

Elsewhere

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