1-[1-(2,5-dimethoxyphenyl)ethyl]-2-(propan-2-yl)-1H-imidazole

• ChemBase ID: 406584
• Molecular Formular: C16H22N2O2
• Molecular Mass: 274.35808
• Monoisotopic Mass: 274.16812795
• SMILES: n1(c(ncc1)C(C)C)C(c1c(ccc(c1)OC)OC)C
• Canonical SMILES: COc1ccc(cc1C(n1ccnc1C(C)C)C)OC
• InChI: InChI=1S/C16H22N2O2/c1-11(2)16-17-8-9-18(16)12(3)14-10-13(19-4)6-7-15(14)20-5/h6-12H,1-5H3
• InChIKey: MAGGDLFBDIUFMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2,5-dimethoxyphenyl)ethyl]-2-(propan-2-yl)-1H-imidazole
• IUPAC Traditional name: 1-[1-(2,5-dimethoxyphenyl)ethyl]-2-isopropylimidazole
• Synonyms: 1-[1-(2,5-dimethoxyphenyl)ethyl]-2-isopropyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3126853
• LogD (pH = 7.4): 3.129915
• Log P: 3.2707443
• Molar Refractivity: 79.5094 cm^3
• Polarizability: 30.817438 Å^3
• Polar Surface Area: 36.28 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: 2.75
• LOG S: -3.55
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 5