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

• ChemBase ID: 548676
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1c(c(n(c1)CCCN1CCOCC1)c1ccc(cc1)O)c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)c1n(CCCN2CCOCC2)cnc1c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c26-20-9-7-19(8-10-20)22-21(18-5-2-1-3-6-18)23-17-25(22)12-4-11-24-13-15-27-16-14-24/h1-3,5-10,17,26H,4,11-16H2
• InChIKey: PXZRPKWAFKFNHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.823704
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.83733886
• LogD (pH = 7.4): 2.7223382
• Log P: 3.2352924
• Molar Refractivity: 107.6273 cm^3
• Polarizability: 44.021637 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: 3.44
• LOG S: -3.2
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 6