1-(1-{[2-(1-ethyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]methyl}cyclopentyl)-4-methylpiperazine

• ChemBase ID: 658004
• Molecular Formular: C19H30N6
• Molecular Mass: 342.4817
• Monoisotopic Mass: 342.25319499
• SMILES: c1(c2n(ccn2)CC)n(CC2(N3CCN(CC3)C)CCCC2)ccn1
• Canonical SMILES: CCn1ccnc1c1nccn1CC1(CCCC1)N1CCN(CC1)C
• InChI: InChI=1S/C19H30N6/c1-3-23-10-8-20-17(23)18-21-9-11-24(18)16-19(6-4-5-7-19)25-14-12-22(2)13-15-25/h8-11H,3-7,12-16H2,1-2H3
• InChIKey: KOKBZGWOQGSXTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{[2-(1-ethyl-1H-imidazol-2-yl)-1H-imidazol-1-yl]methyl}cyclopentyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(1-{[2-(1-ethylimidazol-2-yl)imidazol-1-yl]methyl}cyclopentyl)-4-methylpiperazine
• Synonyms: 1-ethyl-1'-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}-1H,1'H-2,2'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2603801
• LogD (pH = 7.4): 0.36374345
• Log P: 2.0870156
• Molar Refractivity: 121.9486 cm^3
• Polarizability: 38.926807 Å^3
• Polar Surface Area: 42.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.84
• LOG S: -2.26
• Polar Surface Area: 42.12 Å^2
• Rotatable Bonds: 5