3-(1-benzyl-1H-imidazol-2-yl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine

• ChemBase ID: 665057
• Molecular Formular: C20H24N4S
• Molecular Mass: 352.49636
• Monoisotopic Mass: 352.17216779
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(Cc2c(ncs2)C)CCC1
• Canonical SMILES: Cc1ncsc1CN1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C20H24N4S/c1-16-19(25-15-22-16)14-23-10-5-8-18(13-23)20-21-9-11-24(20)12-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3
• InChIKey: QOKPEIZQQAGTGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23285374
• LogD (pH = 7.4): 1.8095044
• Log P: 3.2155986
• Molar Refractivity: 102.7317 cm^3
• Polarizability: 39.39083 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.45
• LOG S: -2.85
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5