3-{1-[2-(morpholin-4-yl)butyl]-4-phenyl-1H-imidazol-5-yl}phenol

• ChemBase ID: 596607
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: n1(c(c(nc1)c1ccccc1)c1cc(O)ccc1)CC(N1CCOCC1)CC
• Canonical SMILES: CCC(N1CCOCC1)Cn1cnc(c1c1cccc(c1)O)c1ccccc1
• InChI: InChI=1S/C23H27N3O2/c1-2-20(25-11-13-28-14-12-25)16-26-17-24-22(18-7-4-3-5-8-18)23(26)19-9-6-10-21(27)15-19/h3-10,15,17,20,27H,2,11-14,16H2,1H3
• InChIKey: DZQOIZIYRCRURB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[2-(morpholin-4-yl)butyl]-4-phenyl-1H-imidazol-5-yl}phenol
• IUPAC Traditional name: 3-{3-[2-(morpholin-4-yl)butyl]-5-phenylimidazol-4-yl}phenol
• Synonyms: 3-[1-(2-morpholin-4-ylbutyl)-4-phenyl-1H-imidazol-5-yl]phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.684501
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.650341
• LogD (pH = 7.4): 3.5149357
• Log P: 4.0014167
• Molar Refractivity: 111.7047 cm^3
• Polarizability: 45.87195 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.92
• LOG S: -3.71
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 6