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

• ChemBase ID: 309268
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: N1(C(=O)NC(C1=O)C)c1c(N)cccc1
• Canonical SMILES: CC1NC(=O)N(C1=O)c1ccccc1N
• InChI: InChI=1S/C10H11N3O2/c1-6-9(14)13(10(15)12-6)8-5-3-2-4-7(8)11/h2-6H,11H2,1H3,(H,12,15)
• InChIKey: HBPRPYQMXVEZDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1218456-21-3
• MDL Number: MFCD13704914

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.17081301
• LogD (pH = 7.4): 0.17124613
• Log P: 0.17125234
• Molar Refractivity: 54.9147 cm^3
• Polarizability: 20.539787 Å^3
• Polar Surface Area: 75.43 Å^2