1-cyclopropyl-4-{[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]methyl}pyrrolidin-2-one

• ChemBase ID: 485243
• Molecular Formular: C18H19Cl2N3O
• Molecular Mass: 364.26896
• Monoisotopic Mass: 363.0905176
• SMILES: c1(c2c(c(c(cc2)C)Cl)Cl)n(CC2CN(C(=O)C2)C2CC2)ccn1
• Canonical SMILES: O=C1CC(CN1C1CC1)Cn1ccnc1c1ccc(c(c1Cl)Cl)C
• InChI: InChI=1S/C18H19Cl2N3O/c1-11-2-5-14(17(20)16(11)19)18-21-6-7-22(18)9-12-8-15(24)23(10-12)13-3-4-13/h2,5-7,12-13H,3-4,8-10H2,1H3
• InChIKey: RPRKVWQIPNHPDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-{[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]methyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopropyl-4-{[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]methyl}pyrrolidin-2-one
• Synonyms: 1-cyclopropyl-4-{[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]methyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9451365
• LogD (pH = 7.4): 3.4095998
• Log P: 3.4227922
• Molar Refractivity: 106.0679 cm^3
• Polarizability: 37.44808 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: 2.57
• LOG S: -4.05
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4