2-[3-(1-benzyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline

• ChemBase ID: 634164
• Molecular Formular: C24H24N4
• Molecular Mass: 368.47416
• Monoisotopic Mass: 368.20009679
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(c2nc3c(cc2)cccc3)CCC1
• Canonical SMILES: c1ccc(cc1)Cn1ccnc1C1CCCN(C1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C24H24N4/c1-2-7-19(8-3-1)17-28-16-14-25-24(28)21-10-6-15-27(18-21)23-13-12-20-9-4-5-11-22(20)26-23/h1-5,7-9,11-14,16,21H,6,10,15,17-18H2
• InChIKey: VNHIIGZWHPYZBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(1-benzyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline
• IUPAC Traditional name: 2-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]quinoline
• Synonyms: 2-[3-(1-benzyl-1H-imidazol-2-yl)-1-piperidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.847019
• LogD (pH = 7.4): 5.097617
• Log P: 5.2117553
• Molar Refractivity: 113.2684 cm^3
• Polarizability: 44.322933 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.0
• LOG S: -4.45
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4