sodium 2,5-dioxo-4,4-diphenylimidazolidin-1-ide

• ChemBase ID: 261018
• Molecular Formular: C15H11N2NaO2
• Molecular Mass: 274.24981
• Monoisotopic Mass: 274.07182188
• SMILES: [N-]1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1.[Na+]
• Canonical SMILES: O=C1[N-]C(=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/p-1
• InChIKey: FJPYVLNWWICYDW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2,5-dioxo-4,4-diphenylimidazolidin-1-ide
• IUPAC Traditional name: sodium 2,5-dioxo-4,4-diphenylimidazolidin-1-ide
• Synonyms: sodium 2,5-dioxo-4,4-diphenylimidazolidin-1-ide

Database IDs

• CAS Number: 630-93-3
• MDL Number: MFCD00069674
• PubChem SID: 164316928
• PubChem CID: 657302

CALCULATED PROPERTIES

• Acid pKa: 9.466258
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1478739
• LogD (pH = 7.4): 2.1442504
• Log P: 2.1479204
• Molar Refractivity: 69.3823 cm^3
• Polarizability: 26.837538 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 296 - 298°C
• Hydrophobicity(logP): 1.427

Product Information

• Purity: 95%