2-{[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]methyl}morpholine

• ChemBase ID: 460524
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: c1(n(cnc1c1ccccc1)CC1OCCNC1)C=C(C)C
• Canonical SMILES: CC(=Cc1n(CC2OCCNC2)cnc1c1ccccc1)C
• InChI: InChI=1S/C18H23N3O/c1-14(2)10-17-18(15-6-4-3-5-7-15)20-13-21(17)12-16-11-19-8-9-22-16/h3-7,10,13,16,19H,8-9,11-12H2,1-2H3
• InChIKey: PZIFHBDGWGMLDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]methyl}morpholine
• IUPAC Traditional name: 2-{[5-(2-methylprop-1-en-1-yl)-4-phenylimidazol-1-yl]methyl}morpholine
• Synonyms: 2-{[5-(2-methylprop-1-en-1-yl)-4-phenyl-1H-imidazol-1-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.22855975
• LogD (pH = 7.4): 1.7722952
• Log P: 2.8750901
• Molar Refractivity: 89.6621 cm^3
• Polarizability: 35.96555 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -2.97
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 4