1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 401349
• Molecular Formular: C19H24ClN3
• Molecular Mass: 329.86696
• Monoisotopic Mass: 329.16587546
• SMILES: c1(n(CC2CC2)ccn1)C1CN(Cc2cc(Cl)ccc2)CCC1
• Canonical SMILES: Clc1cccc(c1)CN1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C19H24ClN3/c20-18-5-1-3-16(11-18)12-22-9-2-4-17(14-22)19-21-8-10-23(19)13-15-6-7-15/h1,3,5,8,10-11,15,17H,2,4,6-7,9,12-14H2
• InChIKey: GUHLGSKPTXEWRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
• Synonyms: 1-(3-chlorobenzyl)-3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.49
• LOG S: -3.58
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 0

JChem

• Molar Refractivity: 95.2819 cm^3
• Polarizability: 36.920994 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.783653
• LogD (pH = 7.4): 2.870877
• Log P: 3.953145