Imidazolone

HCID 504CAS 1968-28-1

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Basic information

Standard SMILES: O=C1CN=CN1
InChIKey: CAAMSDWKXXPUJR-UHFFFAOYSA-N
Molecular formula: C3H4N2O
Average molar mass: 84.08 g/mol
Monoisotopic mass: 84.03236275

Overview

3,5-dihydro-4H-imidazol-4-one is an imidazolinone.

Names & identifiers

Preferred name: Imidazolone
IUPAC: 1,4-dihydroimidazol-5-one

Names & synonyms

4,5-dihydro-1H-imidazol-5-oneRefChem:923345CHEBI:20432378750-35-7Imidazolone4-imidazolone1,4-dihydroimidazol-5-one1968-28-1IMIDAZOLINONEimidazol-4-oneimidazolin-5-one3,5-dihydro-4H-imidazol-4-one

Show more names

71713-87-64H-IMIDAZOL-4-ONE,3,5-DIHYDRO-SCHEMBL16233SCHEMBL117157SCHEMBL181499SCHEMBL396684SCHEMBL993545SCHEMBL1292766

Database identifiers

CAS: 1968-28-1
PubChem CID: 504
DTXSID: DTXSID30274272
ChEMBL: CHEMBL2447922
ChEBI: CHEBI:28470
EC Number: 173-125-2
Nikkaji: J776.713G

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 97

Experimental & physicochemical properties

Physical DescriptionSolid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.