2-methoxy-5-{1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}phenol

• ChemBase ID: 391503
• Molecular Formular: C20H17N3O2S
• Molecular Mass: 363.43288
• Monoisotopic Mass: 363.1041478
• SMILES: n1(c(ncc1)c1cc(c(cc1)OC)O)Cc1c(ncs1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1O)c1nccn1Cc1scnc1c1ccccc1
• InChI: InChI=1S/C20H17N3O2S/c1-25-17-8-7-15(11-16(17)24)20-21-9-10-23(20)12-18-19(22-13-26-18)14-5-3-2-4-6-14/h2-11,13,24H,12H2,1H3
• InChIKey: IHSFVYRJKKVEHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-{1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}phenol
• IUPAC Traditional name: 2-methoxy-5-{1-[(4-phenyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl}phenol
• Synonyms: 2-methoxy-5-{1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-yl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.481835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.6098304
• LogD (pH = 7.4): 4.166951
• Log P: 4.1907663
• Molar Refractivity: 111.8245 cm^3
• Polarizability: 40.611 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.8
• LOG S: -5.09
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 5