4-{2-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-(pyridin-4-yl)ethyl}morpholine

• ChemBase ID: 623648
• Molecular Formular: C24H24N4O2
• Molecular Mass: 400.47296
• Monoisotopic Mass: 400.18992603
• SMILES: n1(c(c(nc1)c1ccccc1)c1occc1)CC(N1CCOCC1)c1ccncc1
• Canonical SMILES: O1CCN(CC1)C(c1ccncc1)Cn1cnc(c1c1ccco1)c1ccccc1
• InChI: InChI=1S/C24H24N4O2/c1-2-5-20(6-3-1)23-24(22-7-4-14-30-22)28(18-26-23)17-21(19-8-10-25-11-9-19)27-12-15-29-16-13-27/h1-11,14,18,21H,12-13,15-17H2
• InChIKey: UUMBUPHLFRETRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-(pyridin-4-yl)ethyl}morpholine
• IUPAC Traditional name: 4-{2-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-1-(pyridin-4-yl)ethyl}morpholine
• Synonyms: 4-{2-[5-(2-furyl)-4-phenyl-1H-imidazol-1-yl]-1-pyridin-4-ylethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9112854
• LogD (pH = 7.4): 3.0360215
• Log P: 3.1057124
• Molar Refractivity: 115.2978 cm^3
• Polarizability: 47.117393 Å^3
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.91
• LOG S: -2.29
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 6