2-(1-methyl-1H-imidazol-5-yl)-1-[2-(oxolan-2-ylmethoxy)phenyl]-1H-imidazole

• ChemBase ID: 564138
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(c2n(cnc2)C)n(c2c(OCC3OCCC3)cccc2)ccn1
• Canonical SMILES: Cn1cncc1c1nccn1c1ccccc1OCC1CCCO1
• InChI: InChI=1S/C18H20N4O2/c1-21-13-19-11-16(21)18-20-8-9-22(18)15-6-2-3-7-17(15)24-12-14-5-4-10-23-14/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3
• InChIKey: IVWVONOKFVCMAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-imidazol-5-yl)-1-[2-(oxolan-2-ylmethoxy)phenyl]-1H-imidazole
• IUPAC Traditional name: 2-(3-methylimidazol-4-yl)-1-[2-(oxolan-2-ylmethoxy)phenyl]imidazole
• Synonyms: 3'-methyl-1-[2-(tetrahydrofuran-2-ylmethoxy)phenyl]-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7114568
• LogD (pH = 7.4): 2.0390673
• Log P: 2.0473056
• Molar Refractivity: 111.5549 cm^3
• Polarizability: 36.107983 Å^3
• Polar Surface Area: 54.1 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: 2.68
• LOG S: -3.85
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 5