1-[3-(5-butyl-4-phenyl-1H-imidazol-1-yl)propyl]piperidine-3-carboxamide

• ChemBase ID: 329345
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: n1c(c(n(c1)CCCN1CC(C(=O)N)CCC1)CCCC)c1ccccc1
• Canonical SMILES: CCCCc1n(CCCN2CCCC(C2)C(=O)N)cnc1c1ccccc1
• InChI: InChI=1S/C22H32N4O/c1-2-3-12-20-21(18-9-5-4-6-10-18)24-17-26(20)15-8-14-25-13-7-11-19(16-25)22(23)27/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H2,23,27)
• InChIKey: OPIWWCBLRGRSBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(5-butyl-4-phenyl-1H-imidazol-1-yl)propyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
• Synonyms: 1-[3-(5-butyl-4-phenyl-1H-imidazol-1-yl)propyl]piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.351885
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6770062
• LogD (pH = 7.4): 0.88852584
• Log P: 3.2234282
• Molar Refractivity: 110.484 cm^3
• Polarizability: 43.915096 Å^3
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.71
• LOG S: -5.06
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 9