4-{[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]methyl}-1-(propan-2-yl)piperidine

• ChemBase ID: 731149
• Molecular Formular: C19H25F2N3O
• Molecular Mass: 349.4181064
• Monoisotopic Mass: 349.19656888
• SMILES: c1(c2c(c(ccc2OC)F)F)n(ccn1)CC1CCN(CC1)C(C)C
• Canonical SMILES: COc1ccc(c(c1c1nccn1CC1CCN(CC1)C(C)C)F)F
• InChI: InChI=1S/C19H25F2N3O/c1-13(2)23-9-6-14(7-10-23)12-24-11-8-22-19(24)17-16(25-3)5-4-15(20)18(17)21/h4-5,8,11,13-14H,6-7,9-10,12H2,1-3H3
• InChIKey: SNKWGTUPHBIBMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]methyl}-1-(propan-2-yl)piperidine
• IUPAC Traditional name: 4-{[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl}-1-isopropylpiperidine
• Synonyms: 4-{[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]methyl}-1-isopropylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1641184
• LogD (pH = 7.4): 1.0519334
• Log P: 3.4917445
• Molar Refractivity: 105.3436 cm^3
• Polarizability: 36.54706 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -3.21
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5