1-[(2-methylphenyl)methyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 826388
• Molecular Formular: C19H27N3
• Molecular Mass: 297.43778
• Monoisotopic Mass: 297.22049788
• SMILES: c1(n(ccn1)C(C)C)C1CN(Cc2c(C)cccc2)CCC1
• Canonical SMILES: Cc1ccccc1CN1CCCC(C1)c1nccn1C(C)C
• InChI: InChI=1S/C19H27N3/c1-15(2)22-12-10-20-19(22)18-9-6-11-21(14-18)13-17-8-5-4-7-16(17)3/h4-5,7-8,10,12,15,18H,6,9,11,13-14H2,1-3H3
• InChIKey: NMMUDQSLWLFATG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methylphenyl)methyl]-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 3-(1-isopropylimidazol-2-yl)-1-[(2-methylphenyl)methyl]piperidine
• Synonyms: 3-(1-isopropyl-1H-imidazol-2-yl)-1-(2-methylbenzyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -8.3406747E-4
• LogD (pH = 7.4): 1.7980096
• Log P: 3.8553274
• Molar Refractivity: 92.7437 cm^3
• Polarizability: 35.74626 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.34
• LOG S: -3.21
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4