1-[3-(difluoromethoxy)benzoyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 841240
• Molecular Formular: C19H23F2N3O2
• Molecular Mass: 363.4016264
• Monoisotopic Mass: 363.17583343
• SMILES: c1(n(ccn1)C(C)C)C1CN(C(=O)c2cc(OC(F)F)ccc2)CCC1
• Canonical SMILES: FC(Oc1cccc(c1)C(=O)N1CCCC(C1)c1nccn1C(C)C)F
• InChI: InChI=1S/C19H23F2N3O2/c1-13(2)24-10-8-22-17(24)15-6-4-9-23(12-15)18(25)14-5-3-7-16(11-14)26-19(20)21/h3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1-2H3
• InChIKey: CGOGTVQWLJUUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(difluoromethoxy)benzoyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-[3-(difluoromethoxy)benzoyl]-3-(1-isopropylimidazol-2-yl)piperidine
• Synonyms: 1-[3-(difluoromethoxy)benzoyl]-3-(1-isopropyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8125088
• LogD (pH = 7.4): 3.4401782
• Log P: 3.4675887
• Molar Refractivity: 94.5037 cm^3
• Polarizability: 35.489098 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -3.77
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5