1-[4-(diphenylmethyl)piperazin-1-yl]-4-(1H-imidazol-1-yl)butan-1-one

• ChemBase ID: 405534
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: N1(C(=O)CCCn2cncc2)CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CCCn1cncc1
• InChI: InChI=1S/C24H28N4O/c29-23(12-7-14-26-15-13-25-20-26)27-16-18-28(19-17-27)24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13,15,20,24H,7,12,14,16-19H2
• InChIKey: WCTAATFRBBLXCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-(1H-imidazol-1-yl)butan-1-one
• IUPAC Traditional name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-(imidazol-1-yl)butan-1-one
• Synonyms: 1-(diphenylmethyl)-4-[4-(1H-imidazol-1-yl)butanoyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86184084
• LogD (pH = 7.4): 2.8044655
• Log P: 3.0783515
• Molar Refractivity: 116.0096 cm^3
• Polarizability: 44.924656 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.75
• LOG S: -4.38
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7