2-(4-methyl-1H-imidazol-5-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole

• ChemBase ID: 734157
• Molecular Formular: C17H18N4
• Molecular Mass: 278.35162
• Monoisotopic Mass: 278.1531466
• SMILES: c1(c2c(nc[nH]2)C)n(c2c3c(ccc2)CCCC3)ccn1
• Canonical SMILES: Cc1nc[nH]c1c1nccn1c1cccc2c1CCCC2
• InChI: InChI=1S/C17H18N4/c1-12-16(20-11-19-12)17-18-9-10-21(17)15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8-11H,2-3,5,7H2,1H3,(H,19,20)
• InChIKey: WVWHWWRTJVTSLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1H-imidazol-5-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole
• IUPAC Traditional name: 2-(5-methyl-3H-imidazol-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole
• Synonyms: 5'-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.110224
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7157173
• LogD (pH = 7.4): 3.1364443
• Log P: 3.146336
• Molar Refractivity: 104.014 cm^3
• Polarizability: 32.772747 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 5.13
• LOG S: -5.61
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 2