3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 240505
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: N1(C(=O)C(NC1=O)(c1ccc(N)cc1)C)N
• Canonical SMILES: Nc1ccc(cc1)C1(C)NC(=O)N(C1=O)N
• InChI: InChI=1S/C10H12N4O2/c1-10(6-2-4-7(11)5-3-6)8(15)14(12)9(16)13-10/h2-5H,11-12H2,1H3,(H,13,16)
• InChIKey: BZQHSRKIFGNKTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 3-amino-5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD22392159
• PubChem SID: 164296415
• PubChem CID: 71756570

CALCULATED PROPERTIES

• Acid pKa: 10.934142
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.22691615
• LogD (pH = 7.4): -0.20681667
• Log P: -0.20642683
• Molar Refractivity: 59.3018 cm^3
• Polarizability: 21.98573 Å^3
• Polar Surface Area: 101.45 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.023

Product Information

• Purity: 95%