1-(3-phenylpropyl)-2-(propan-2-yl)-1H-imidazole

• ChemBase ID: 506540
• Molecular Formular: C15H20N2
• Molecular Mass: 228.3327
• Monoisotopic Mass: 228.16264865
• SMILES: c1(n(ccn1)CCCc1ccccc1)C(C)C
• Canonical SMILES: CC(c1nccn1CCCc1ccccc1)C
• InChI: InChI=1S/C15H20N2/c1-13(2)15-16-10-12-17(15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3
• InChIKey: FKZCVFFGAXDLLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenylpropyl)-2-(propan-2-yl)-1H-imidazole
• IUPAC Traditional name: 2-isopropyl-1-(3-phenylpropyl)imidazole
• Synonyms: 2-isopropyl-1-(3-phenylpropyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9312167
• LogD (pH = 7.4): 3.7444983
• Log P: 3.9027417
• Molar Refractivity: 71.5202 cm^3
• Polarizability: 27.584423 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.37
• LOG S: -3.74
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5