4-cyclopropyl-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-methylpyrrolidin-2-one

• ChemBase ID: 861775
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: N1(C(=O)CC(C2CC2)(C1)C)Cc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1CN1CC(CC1=O)(C)C1CC1
• InChI: InChI=1S/C15H23N3O2/c1-15(12-3-4-12)7-14(19)18(10-15)9-13-8-16-11-17(13)5-6-20-2/h8,11-12H,3-7,9-10H2,1-2H3
• InChIKey: ORVWBKJYOFALSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-methylpyrrolidin-2-one
• IUPAC Traditional name: 4-cyclopropyl-1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-4-methylpyrrolidin-2-one
• Synonyms: 4-cyclopropyl-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-methylpyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.11389793
• LogD (pH = 7.4): 0.32631332
• Log P: 0.35760707
• Molar Refractivity: 76.7568 cm^3
• Polarizability: 29.614317 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.02
• LOG S: -2.55
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6