2-(6-methoxynaphthalen-2-yl)-4-{[1-(2-methylpropyl)-1H-imidazol-5-yl]methyl}morpholine

• ChemBase ID: 503794
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: n1(c(CN2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)cnc1)CC(C)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1cncn1CC(C)C
• InChI: InChI=1S/C23H29N3O2/c1-17(2)13-26-16-24-12-21(26)14-25-8-9-28-23(15-25)20-5-4-19-11-22(27-3)7-6-18(19)10-20/h4-7,10-12,16-17,23H,8-9,13-15H2,1-3H3
• InChIKey: GUWUKIMSJBNSEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-{[1-(2-methylpropyl)-1H-imidazol-5-yl]methyl}morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-{[3-(2-methylpropyl)imidazol-4-yl]methyl}morpholine
• Synonyms: 4-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3809187
• LogD (pH = 7.4): 3.4988523
• Log P: 3.5816982
• Molar Refractivity: 112.3446 cm^3
• Polarizability: 44.76519 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.3
• LOG S: -3.78
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 6