4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylpiperazine

• ChemBase ID: 371741
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: N1(C(CN(Cc2n(ccn2)CC)CC1)(C)C)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1CCN(CC1(C)C)Cc1nccn1CC
• InChI: InChI=1S/C19H28N4O/c1-5-22-11-10-20-18(22)14-21-12-13-23(19(2,3)15-21)16-6-8-17(24-4)9-7-16/h6-11H,5,12-15H2,1-4H3
• InChIKey: GVWYCSCINFNIFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylpiperazine
• IUPAC Traditional name: 4-[(1-ethylimidazol-2-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylpiperazine
• Synonyms: 4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2826416
• LogD (pH = 7.4): 2.5723028
• Log P: 2.7275434
• Molar Refractivity: 98.5966 cm^3
• Polarizability: 37.686317 Å^3
• Polar Surface Area: 33.53 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: 3.18
• LOG S: -3.3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5