4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(naphthalen-1-ylmethyl)piperidine

• ChemBase ID: 618042
• Molecular Formular: C24H29N3
• Molecular Mass: 359.50716
• Monoisotopic Mass: 359.23614794
• SMILES: n1(c(ncc1)C1CCN(Cc2c3c(ccc2)cccc3)CC1)CC1CCC1
• Canonical SMILES: C1CC(C1)Cn1ccnc1C1CCN(CC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C24H29N3/c1-2-10-23-20(7-1)8-4-9-22(23)18-26-14-11-21(12-15-26)24-25-13-16-27(24)17-19-5-3-6-19/h1-2,4,7-10,13,16,19,21H,3,5-6,11-12,14-15,17-18H2
• InChIKey: ZRNYYSKGVXNZGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(naphthalen-1-ylmethyl)piperidine
• IUPAC Traditional name: 4-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(naphthalen-1-ylmethyl)piperidine
• Synonyms: 4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-(1-naphthylmethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5155995
• LogD (pH = 7.4): 2.487196
• Log P: 4.6272383
• Molar Refractivity: 111.6823 cm^3
• Polarizability: 44.514797 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.59
• LOG S: -4.73
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5