1,4,5-Triphenyl-1,3-dihydro-2H-imidazol-2-one

HCID 628544

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Basic information

CAS: 26497-68-7
Standard SMILES: O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIKey: RVTZDVRBBLITAE-UHFFFAOYSA-N
Molecular formula: C21H16N2O
Average molar mass: 312.4 g/mol
Monoisotopic mass: 312.12626313

Names & identifiers

Preferred name: 1,4,5-Triphenyl-1,3-dihydro-2H-imidazol-2-one
IUPAC: 3,4,5-triphenyl-1H-imidazol-2-one
English name: 1,4,5-Triphenyl-1,3-dihydro-2H-imidazol-2-one
Molecular formula: C21H16N2O
Molecular weight: 312.36

Names & synonyms

26497-68-71,4,5-Triphenyl-1,3-dihydro-2H-imidazol-2-oneDTXSID30347955RefChem:219852DTXCID902990271,4,5-Triphenyl-2,3-dihydro-1H-imidazol-2-one3,4,5-triphenyl-1H-imidazol-2-one2H-Imidazol-2-one, 1,3-dihydro-1,4,5-triphenyl-1,4,5-triphenyl-4-imidazolin-2-one2-Oxo-1,4,5-triphenyl-4-imidazolineSCHEMBL8112391SCHEMBL10832851

Show more names

1,4,5-TRIPHENYL-2,3-DIHYDRO-1H-IMIDAZOL-2-ONE(WXG01890)

1,4,5-triphenylimidazol-2-one1,4,5-TriphenylimidazoI-2-one1,4,5-Triphenylimidazole-2-one1.4.5-triphenyl-4-imidazolin-2-oneAKOS0243514061,4,5-triphenyl-1h-imidazol-2(3h)-oneST50976095F187978

Database identifiers

CAS: 26497-68-7
PubChem CID: 628544
DTXSID: DTXSID30347955
Nikkaji: J1.424.443C

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 480

Physicochemical properties

Melting point: 296 · 296-300 °C (decomp)
Density: 1.229 · 1.229±0.06 g/cm3(Predicted)
pka: 10.49 · 10.49±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338