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

• ChemBase ID: 641228
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: c1(n(cnc1)C(C)C)CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1cncn1C(C)C
• InChI: InChI=1S/C22H27N3O2/c1-16(2)25-15-23-12-20(25)13-24-8-9-27-22(14-24)19-5-4-18-11-21(26-3)7-6-17(18)10-19/h4-7,10-12,15-16,22H,8-9,13-14H2,1-3H3
• InChIKey: PRUWSDPGDZKXLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9932754
• LogD (pH = 7.4): 3.009264
• Log P: 3.1107779
• Molar Refractivity: 107.7678 cm^3
• Polarizability: 42.91917 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.77
• LOG S: -3.22
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 5