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

• ChemBase ID: 502922
• Molecular Formular: C19H21N3OS
• Molecular Mass: 339.45454
• Monoisotopic Mass: 339.14053331
• SMILES: c1(n(cnc1c1ccccc1)CC1(O)CCCCC1)c1nccs1
• Canonical SMILES: OC1(CCCCC1)Cn1cnc(c1c1nccs1)c1ccccc1
• InChI: InChI=1S/C19H21N3OS/c23-19(9-5-2-6-10-19)13-22-14-21-16(15-7-3-1-4-8-15)17(22)18-20-11-12-24-18/h1,3-4,7-8,11-12,14,23H,2,5-6,9-10,13H2
• InChIKey: XACCOBNDCKHAOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.32853
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7183146
• LogD (pH = 7.4): 3.7476392
• Log P: 3.748029
• Molar Refractivity: 106.0573 cm^3
• Polarizability: 38.864815 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -4.57
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4