1-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-phenylpyrrolidin-2-one

• ChemBase ID: 769787
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: N1(C(=O)CC(C1)c1ccccc1)Cc1n(C2CC2)ccn1
• Canonical SMILES: O=C1CC(CN1Cc1nccn1C1CC1)c1ccccc1
• InChI: InChI=1S/C17H19N3O/c21-17-10-14(13-4-2-1-3-5-13)11-19(17)12-16-18-8-9-20(16)15-6-7-15/h1-5,8-9,14-15H,6-7,10-12H2
• InChIKey: HIWMXNAEEQEPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-phenylpyrrolidin-2-one
• IUPAC Traditional name: 1-[(1-cyclopropylimidazol-2-yl)methyl]-4-phenylpyrrolidin-2-one
• Synonyms: 1-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-phenylpyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9937453
• LogD (pH = 7.4): 1.4957029
• Log P: 1.5112537
• Molar Refractivity: 80.7235 cm^3
• Polarizability: 31.134308 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.47
• LOG S: -2.51
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4