3-(1-benzyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine

• ChemBase ID: 370624
• Molecular Formular: C22H29N5
• Molecular Mass: 363.49916
• Monoisotopic Mass: 363.24229595
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(CCCn2c(ncc2)C)CCC1
• Canonical SMILES: Cc1nccn1CCCN1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C22H29N5/c1-19-23-10-15-26(19)14-6-13-25-12-5-9-21(18-25)22-24-11-16-27(22)17-20-7-3-2-4-8-20/h2-4,7-8,10-11,15-16,21H,5-6,9,12-14,17-18H2,1H3
• InChIKey: KXBPHCOBOKWOQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7901847
• LogD (pH = 7.4): 0.80623394
• Log P: 2.6584744
• Molar Refractivity: 109.7817 cm^3
• Polarizability: 42.054974 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.47
• LOG S: -2.95
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7