4,5-dichloro-1-[6-(4,5-dichloro-1H-imidazol-1-yl)hexyl]-1H-imidazole

• ChemBase ID: 82925
• Molecular Formular: C12H14Cl4N4
• Molecular Mass: 356.07836
• Monoisotopic Mass: 353.99725719
• SMILES: n1cn(CCCCCCn2c(c(Cl)nc2)Cl)c(c1Cl)Cl
• Canonical SMILES: Clc1n(CCCCCCn2cnc(c2Cl)Cl)cnc1Cl
• InChI: InChI=1S/C12H14Cl4N4/c13-9-11(15)19(7-17-9)5-3-1-2-4-6-20-8-18-10(14)12(20)16/h7-8H,1-6H2
• InChIKey: SVENCIQOSOBOHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-1-[6-(4,5-dichloro-1H-imidazol-1-yl)hexyl]-1H-imidazole
• IUPAC Traditional name: 4,5-dichloro-1-[6-(4,5-dichloroimidazol-1-yl)hexyl]imidazole
• Synonyms: 4,5-dichloro-1-[6-(4,5-dichloro-1H-imidazol-1-yl)hexyl]-1H-imidazole

Database IDs

• MDL Number: MFCD00662106
• PubChem SID: 162070044
• PubChem CID: 2779311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7351158
• LogD (pH = 7.4): 3.7383516
• Log P: 3.7383928
• Molar Refractivity: 85.906 cm^3
• Polarizability: 32.37272 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true