1-(3-aminophenyl)-3-methylimidazolidin-2-one

• ChemBase ID: 287909
• Molecular Formular: C10H13N3O
• Molecular Mass: 191.22972
• Monoisotopic Mass: 191.10586205
• SMILES: O=C1N(C)CCN1c1cccc(N)c1
• Canonical SMILES: Nc1cccc(c1)N1CCN(C1=O)C
• InChI: InChI=1S/C10H13N3O/c1-12-5-6-13(10(12)14)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3
• InChIKey: BKKKYVAWUMMSGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminophenyl)-3-methylimidazolidin-2-one
• IUPAC Traditional name: 1-(3-aminophenyl)-3-methylimidazolidin-2-one
• Synonyms: 1-(3-Aminophenyl)-3-methylimidazolidin-2-one

Database IDs

• CAS Number: 517918-82-0
• MDL Number: MFCD05864562
• PubChem SID: 180673440
• PubChem CID: 40428296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17791042
• LogD (pH = 7.4): 0.18824458
• Log P: 0.18837795
• Molar Refractivity: 55.2384 cm^3
• Polarizability: 20.43941 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%