6-{2-[4-phenyl-5-(quinolin-8-yl)-1H-imidazol-1-yl]ethyl}pyrimidin-4-ol

• ChemBase ID: 421849
• Molecular Formular: C24H19N5O
• Molecular Mass: 393.44056
• Monoisotopic Mass: 393.15896025
• SMILES: c1(c(ncn1CCc1cc(ncn1)O)c1ccccc1)c1c2ncccc2ccc1
• Canonical SMILES: Oc1ncnc(c1)CCn1cnc(c1c1cccc2c1nccc2)c1ccccc1
• InChI: InChI=1S/C24H19N5O/c30-21-14-19(26-15-27-21)11-13-29-16-28-23(18-6-2-1-3-7-18)24(29)20-10-4-8-17-9-5-12-25-22(17)20/h1-10,12,14-16H,11,13H2,(H,26,27,30)
• InChIKey: ISWTVDHIKZTTEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{2-[4-phenyl-5-(quinolin-8-yl)-1H-imidazol-1-yl]ethyl}pyrimidin-4-ol
• IUPAC Traditional name: 6-{2-[4-phenyl-5-(quinolin-8-yl)imidazol-1-yl]ethyl}pyrimidin-4-ol
• Synonyms: 6-[2-(4-phenyl-5-quinolin-8-yl-1H-imidazol-1-yl)ethyl]pyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.419931
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.0776486
• LogD (pH = 7.4): 4.244047
• Log P: 4.2467484
• Molar Refractivity: 115.3572 cm^3
• Polarizability: 47.730125 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.73
• LOG S: -5.26
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 5