5,5-diphenylimidazolidine-2,4-dione

• ChemBase ID: 131967
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: c1ccc(cc1)C1(C(=O)NC(=O)N1)c1ccccc1
• Canonical SMILES: O=C1NC(=O)NC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
• InChIKey: CXOFVDLJLONNDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-diphenylimidazolidine-2,4-dione
• IUPAC Traditional name: silantin
• Synonyms: 5-Phenyl-5-(phenyl-d5)-2,4-imidazolidinedione; 5,5-Diphenylhydantoin-d5

Database IDs

• CAS Number: 63435-68-7
• MDL Number: MFCD00069673
• PubChem SID: 162226244
• PubChem CID: 6913198

CALCULATED PROPERTIES

• Acid pKa: 9.466258
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1478739
• LogD (pH = 7.4): 2.1442504
• Log P: 2.1479204
• Molar Refractivity: 70.1823 cm^3
• Polarizability: 27.12261 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 61-22-40-43
• Safety Statements: 53-22-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H334-H351-H360
• GHS Precautionary statements: P201-P261-P281-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3