1-(furan-2-carbonyl)-3-[4-phenyl-5-(propan-2-yl)-1H-imidazol-1-yl]piperidine

• ChemBase ID: 420737
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1(c(c(nc1)c1ccccc1)C(C)C)C1CN(C(=O)c2occc2)CCC1
• Canonical SMILES: CC(c1c(ncn1C1CCCN(C1)C(=O)c1ccco1)c1ccccc1)C
• InChI: InChI=1S/C22H25N3O2/c1-16(2)21-20(17-8-4-3-5-9-17)23-15-25(21)18-10-6-12-24(14-18)22(26)19-11-7-13-27-19/h3-5,7-9,11,13,15-16,18H,6,10,12,14H2,1-2H3
• InChIKey: CGKJXFQLXJJPLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-3-[4-phenyl-5-(propan-2-yl)-1H-imidazol-1-yl]piperidine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-3-(5-isopropyl-4-phenylimidazol-1-yl)piperidine
• Synonyms: 1-(2-furoyl)-3-(5-isopropyl-4-phenyl-1H-imidazol-1-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2528927
• LogD (pH = 7.4): 3.8044403
• Log P: 3.8241086
• Molar Refractivity: 105.3819 cm^3
• Polarizability: 41.3193 Å^3
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.55
• LOG S: -5.74
• Polar Surface Area: 51.27 Å^2
• Rotatable Bonds: 4