sodium 5,5-diphenylimidazolidine-2,4-dione

• ChemBase ID: 798328
• Molecular Formular: C15H12N2NaO2+
• Molecular Mass: 275.25775
• Monoisotopic Mass: 275.07964692
• SMILES: [Na+].N1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1NC(=O)NC1(c1ccccc1)c1ccccc1.[Na+]
• InChI: InChI=1S/C15H12N2O2.Na/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);/q;+1
• InChIKey: FJPYVLNWWICYDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 5,5-diphenylimidazolidine-2,4-dione
• IUPAC Traditional name: sodium silantin
• Synonyms: sodium 5,5-diphenyl-2,4-imidazolidinedione

Database IDs

• CAS Number: 630-93-3

CALCULATED PROPERTIES

• Acid pKa: 8.486641
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1474779
• LogD (pH = 7.4): 2.1141331
• 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

Product Information

• Purity: 97%