2-(morpholin-4-yl)-1-{4-[2-(pyridin-3-yl)-1H-imidazol-1-yl]phenyl}ethan-1-ol

• ChemBase ID: 576469
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(n(c2ccc(C(CN3CCOCC3)O)cc2)ccn1)c1cnccc1
• Canonical SMILES: OC(c1ccc(cc1)n1ccnc1c1cccnc1)CN1CCOCC1
• InChI: InChI=1S/C20H22N4O2/c25-19(15-23-10-12-26-13-11-23)16-3-5-18(6-4-16)24-9-8-22-20(24)17-2-1-7-21-14-17/h1-9,14,19,25H,10-13,15H2
• InChIKey: JJINFQZCFFKEBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-{4-[2-(pyridin-3-yl)-1H-imidazol-1-yl]phenyl}ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-{4-[2-(pyridin-3-yl)imidazol-1-yl]phenyl}ethanol
• Synonyms: 2-morpholin-4-yl-1-[4-(2-pyridin-3-yl-1H-imidazol-1-yl)phenyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.180779
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.14030862
• LogD (pH = 7.4): 1.4953512
• Log P: 1.6360695
• Molar Refractivity: 120.5308 cm^3
• Polarizability: 39.950058 Å^3
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.59
• LOG S: -2.1
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 5