(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone

HCID 6931391

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Basic information

CAS: 190791-33-4
Standard SMILES: C[C@H]1[C@@H](c2ccccc2)NC(=O)N1C
InChIKey: BGPAZBKCZVVZGF-WPRPVWTQSA-N
Molecular formula: C11H14N2O
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.11061307

Names & identifiers

Preferred name: (4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
IUPAC: (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one
English name: (4R 5s)-1 5-dimethyl-4-phenyl-2-imidazolidone
Molecular formula: C11H14N2O
Molecular weight: 190.24

Names & synonyms

92841-65-1(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinoneDTXSID9049374DTXCID6029333RefChem:209187(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one(4R,5S)-1,5-dimethyl-4-phenyl-2-imidazolidinoneSCHEMBL2370351CHEMBL3189109Tox21_202878AKOS015913769AT31576

Show more names

1,5-dimethyl-4-phenyl-2-imidazolidine(4R,5S)-1,5-DIMETHYL-4-PHENYLIMIDAZOLIDINONE(4R 5s)-1 5-dimethyl-4-phenyl-2-imidazolidone(4R)-4α-Phenyl-1,5α-dimethylimidazolidine-2-one(4R,5S)-1,5-Dimethyl-4-phenylimidazolidine-2-one[4R,5S,(-)]-1,5-Dimethyl-4-phenylimidazolidin-2-one2-Imidazolidinone, 1,5-dimethyl-4-phenyl-, (4R,5S)-(4R,5S)-(-)-1,5-DiMethyl-4-phenyl-2-iMidazolidinone 97%(4R,5S)-(?)-1,5-Dimethyl-4-phenyl-2-imidazolidinone

NCGC00260424-01CAS-92841-65-1(4R,5S)-1,5dimethyl4-phenyl-2-imidazolidinone(4R, 5S)-1,5-dimethyl-4-phenyl-2-imidazolidinone(4r, 5s)-1,5-dimethyl-4-phenylimidazolidin-2-one(4R,5S)-1,5-dimethyl-4-phenyl-imidazolidin-2-one(4R, 5S)-1,5-dimethyl-4-phenyl-imidazolidin-2-one(4R, 5S)-1,5-dimethyl-4-phenylimidazolidin -2-one

Database identifiers

CAS: 190791-33-4、92841-65-1
PubChem CID: 6931391
DTXSID: DTXSID9049374
ChEMBL: CHEMBL3189109
Nikkaji: J308.016A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 171 · 171-174 °C(lit.)
Boiling point: 335.9 · 335.9±17.0 °C(Predicted)
Density: 1.077 · 1.077±0.06 g/cm3(Predicted)
pka: 13.7 · 13.70±0.60(Predicted)
form: solid
optical activity: 20 · [α]20/D 42°, c = 1 in methanol
BRN: 3607899 · 3607899
InChI: 1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKey: BGPAZBKCZVVZGF-WPRPVWTQSA-N
SMILES: C[C@H]1[C@H](NC(=O)N1C)c2ccccc2
UNSPSC Code: 12352005 · 12352005
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids