1-(diphenylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine

• ChemBase ID: 475794
• Molecular Formular: C22H26N4
• Molecular Mass: 346.46864
• Monoisotopic Mass: 346.21574685
• SMILES: c1(n(ccn1)C)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: Cn1ccnc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H26N4/c1-24-13-12-23-21(24)18-25-14-16-26(17-15-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,22H,14-18H2,1H3
• InChIKey: XLWUBHHEQZTSMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-(diphenylmethyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
• Synonyms: 1-(diphenylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5652131
• LogD (pH = 7.4): 2.7179067
• Log P: 3.448848
• Molar Refractivity: 106.7247 cm^3
• Polarizability: 41.514782 Å^3
• Polar Surface Area: 24.3 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: 2.54
• LOG S: -2.89
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5