1-(cyclohexyloxy)-3-[2-(1H-imidazol-2-yl)-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 788020
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(n(ccn1)CC(COC1CCCCC1)O)c1ncc[nH]1
• Canonical SMILES: OC(Cn1ccnc1c1ncc[nH]1)COC1CCCCC1
• InChI: InChI=1S/C15H22N4O2/c20-12(11-21-13-4-2-1-3-5-13)10-19-9-8-18-15(19)14-16-6-7-17-14/h6-9,12-13,20H,1-5,10-11H2,(H,16,17)
• InChIKey: QCQVHQNYBCMRHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexyloxy)-3-[2-(1H-imidazol-2-yl)-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: 1-(cyclohexyloxy)-3-[2-(1H-imidazol-2-yl)imidazol-1-yl]propan-2-ol
• Synonyms: 1-(1H,1'H-2,2'-biimidazol-1-yl)-3-(cyclohexyloxy)propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.236177
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3384125
• LogD (pH = 7.4): 1.4819533
• Log P: 1.4842571
• Molar Refractivity: 99.9515 cm^3
• Polarizability: 30.646149 Å^3
• Polar Surface Area: 75.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.27
• LOG S: -3.26
• Polar Surface Area: 75.96 Å^2
• Rotatable Bonds: 6