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

• ChemBase ID: 425947
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: n1(c(ncc1)c1ccncc1)c1c(CN2CCOCC2)cccc1
• Canonical SMILES: O1CCN(CC1)Cc1ccccc1n1ccnc1c1ccncc1
• InChI: InChI=1S/C19H20N4O/c1-2-4-18(17(3-1)15-22-11-13-24-14-12-22)23-10-9-21-19(23)16-5-7-20-8-6-16/h1-10H,11-15H2
• InChIKey: KDBXIJFACSJFAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[2-(pyridin-4-yl)-1H-imidazol-1-yl]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({2-[2-(pyridin-4-yl)imidazol-1-yl]phenyl}methyl)morpholine
• Synonyms: 4-[2-(2-pyridin-4-yl-1H-imidazol-1-yl)benzyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.23177451
• LogD (pH = 7.4): 2.0158658
• Log P: 2.2664044
• Molar Refractivity: 114.5683 cm^3
• Polarizability: 37.5143 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -2.34
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 4