5-(1-ethyl-1H-imidazol-2-yl)-1-[3-(oxolan-3-yl)propyl]-4-phenyl-1H-imidazole

• ChemBase ID: 652010
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: c1(c2n(ccn2)CC)c(ncn1CCCC1COCC1)c1ccccc1
• Canonical SMILES: CCn1ccnc1c1n(CCCC2COCC2)cnc1c1ccccc1
• InChI: InChI=1S/C21H26N4O/c1-2-24-13-11-22-21(24)20-19(18-8-4-3-5-9-18)23-16-25(20)12-6-7-17-10-14-26-15-17/h3-5,8-9,11,13,16-17H,2,6-7,10,12,14-15H2,1H3
• InChIKey: QJDDNUJSLMRDRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-ethyl-1H-imidazol-2-yl)-1-[3-(oxolan-3-yl)propyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(1-ethylimidazol-2-yl)-1-[3-(oxolan-3-yl)propyl]-4-phenylimidazole
• Synonyms: 1-ethyl-5'-phenyl-3'-[3-(tetrahydrofuran-3-yl)propyl]-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0765145
• LogD (pH = 7.4): 3.3788207
• Log P: 3.3846684
• Molar Refractivity: 114.1474 cm^3
• Polarizability: 41.593582 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.11
• LOG S: -4.41
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 7