4-cyclohexyl-1-[2-(1H-imidazol-1-yl)-1-phenylethyl]-1H-1,2,3-triazole

• ChemBase ID: 821219
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n1(nnc(c1)C1CCCCC1)C(Cn1cncc1)c1ccccc1
• Canonical SMILES: C1CCC(CC1)c1nnn(c1)C(c1ccccc1)Cn1cncc1
• InChI: InChI=1S/C19H23N5/c1-3-7-16(8-4-1)18-13-24(22-21-18)19(14-23-12-11-20-15-23)17-9-5-2-6-10-17/h2,5-6,9-13,15-16,19H,1,3-4,7-8,14H2
• InChIKey: BTZYLATZIQVQQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexyl-1-[2-(1H-imidazol-1-yl)-1-phenylethyl]-1H-1,2,3-triazole
• IUPAC Traditional name: 4-cyclohexyl-1-[2-(imidazol-1-yl)-1-phenylethyl]-1,2,3-triazole
• Synonyms: 4-cyclohexyl-1-[2-(1H-imidazol-1-yl)-1-phenylethyl]-1H-1,2,3-triazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4254456
• LogD (pH = 7.4): 3.8898895
• Log P: 3.9562695
• Molar Refractivity: 105.3354 cm^3
• Polarizability: 36.02437 Å^3
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.6
• LOG S: -4.62
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5