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

• ChemBase ID: 269788
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: C1(C(=O)NC(=O)N1)(c1c(N)cccc1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccccc1N
• InChI: InChI=1S/C10H11N3O2/c1-10(8(14)12-9(15)13-10)6-4-2-3-5-7(6)11/h2-5H,11H2,1H3,(H2,12,13,14,15)
• InChIKey: HIZUXTYDWKDWPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12190038
• PubChem SID: 164325698
• PubChem CID: 43420016

CALCULATED PROPERTIES

• Acid pKa: 9.827685
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.08702557
• LogD (pH = 7.4): 0.08841024
• Log P: 0.09004887
• Molar Refractivity: 54.8177 cm^3
• Polarizability: 20.5525 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.231

Product Information

• Purity: 95%