[4-({4-[4-(1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)phenyl]methanol

• ChemBase ID: 761179
• Molecular Formular: C19H17N5O
• Molecular Mass: 331.37118
• Monoisotopic Mass: 331.14331019
• SMILES: n1nc(cn1Cc1ccc(cc1)CO)c1ccc(n2cncc2)cc1
• Canonical SMILES: OCc1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)n1cncc1
• InChI: InChI=1S/C19H17N5O/c25-13-16-3-1-15(2-4-16)11-24-12-19(21-22-24)17-5-7-18(8-6-17)23-10-9-20-14-23/h1-10,12,14,25H,11,13H2
• InChIKey: GCEBRRYFTCMAQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-({4-[4-(1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)phenyl]methanol
• IUPAC Traditional name: [4-({4-[4-(imidazol-1-yl)phenyl]-1,2,3-triazol-1-yl}methyl)phenyl]methanol
• Synonyms: [4-({4-[4-(1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}methyl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.021703
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2982547
• LogD (pH = 7.4): 2.7410448
• Log P: 2.7735937
• Molar Refractivity: 117.4595 cm^3
• Polarizability: 38.13293 Å^3
• Polar Surface Area: 68.76 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: 1.72
• LOG S: -3.08
• Polar Surface Area: 68.76 Å^2
• Rotatable Bonds: 5