3-(1-benzyl-1H-imidazol-2-yl)-1-[3-(1H-1,2,3,4-tetrazol-1-yl)propyl]piperidine

• ChemBase ID: 499634
• Molecular Formular: C19H25N7
• Molecular Mass: 351.4487
• Monoisotopic Mass: 351.21714384
• SMILES: c1(n(ccn1)Cc1ccccc1)C1CN(CCCn2nnnc2)CCC1
• Canonical SMILES: c1ccc(cc1)Cn1ccnc1C1CCCN(C1)CCCn1cnnn1
• InChI: InChI=1S/C19H25N7/c1-2-6-17(7-3-1)14-25-13-9-20-19(25)18-8-4-10-24(15-18)11-5-12-26-16-21-22-23-26/h1-3,6-7,9,13,16,18H,4-5,8,10-12,14-15H2
• InChIKey: MTZKOLSVOSOGCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.7387958
• LogD (pH = 7.4): 0.2888532
• Log P: 1.8096695
• Molar Refractivity: 114.9661 cm^3
• Polarizability: 38.52722 Å^3
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -2.47
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 7