1-ethyl-4-[4-phenyl-5-(propan-2-yl)-1H-imidazol-1-yl]pyrrolidin-2-one

• ChemBase ID: 325569
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: n1(c(c(nc1)c1ccccc1)C(C)C)C1CC(=O)N(C1)CC
• Canonical SMILES: CCN1CC(CC1=O)n1cnc(c1C(C)C)c1ccccc1
• InChI: InChI=1S/C18H23N3O/c1-4-20-11-15(10-16(20)22)21-12-19-17(18(21)13(2)3)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
• InChIKey: ZBNVICJVDMMNKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[4-phenyl-5-(propan-2-yl)-1H-imidazol-1-yl]pyrrolidin-2-one
• IUPAC Traditional name: 1-ethyl-4-(5-isopropyl-4-phenylimidazol-1-yl)pyrrolidin-2-one
• Synonyms: 1-ethyl-4-(5-isopropyl-4-phenyl-1H-imidazol-1-yl)pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2296946
• LogD (pH = 7.4): 2.7795236
• Log P: 2.7990398
• Molar Refractivity: 87.6684 cm^3
• Polarizability: 35.091663 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: 2.98
• LOG S: -3.91
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4