2-(1-methyl-1H-imidazol-2-yl)-1-[4-(oxolan-2-ylmethoxy)phenyl]-1H-imidazole

• ChemBase ID: 691051
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(c2n(ccn2)C)n(c2ccc(OCC3OCCC3)cc2)ccn1
• Canonical SMILES: Cn1ccnc1c1nccn1c1ccc(cc1)OCC1CCCO1
• InChI: InChI=1S/C18H20N4O2/c1-21-10-8-19-17(21)18-20-9-11-22(18)14-4-6-15(7-5-14)24-13-16-3-2-12-23-16/h4-11,16H,2-3,12-13H2,1H3
• InChIKey: LRDLGMFMAVASEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4122462
• LogD (pH = 7.4): 2.5035279
• Log P: 2.5048492
• Molar Refractivity: 121.6428 cm^3
• Polarizability: 35.426712 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: 2.63
• LOG S: -3.81
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 5