3,5-dichloro-4-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]pyridine

• ChemBase ID: 455368
• Molecular Formular: C18H17Cl2N3O
• Molecular Mass: 362.25308
• Monoisotopic Mass: 361.07486754
• SMILES: c1(c(ncn1CCOCC)c1ccccc1)c1c(Cl)cncc1Cl
• Canonical SMILES: CCOCCn1cnc(c1c1c(Cl)cncc1Cl)c1ccccc1
• InChI: InChI=1S/C18H17Cl2N3O/c1-2-24-9-8-23-12-22-17(13-6-4-3-5-7-13)18(23)16-14(19)10-21-11-15(16)20/h3-7,10-12H,2,8-9H2,1H3
• InChIKey: ILMQMNXPZUGWOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]pyridine
• IUPAC Traditional name: 3,5-dichloro-4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]pyridine
• Synonyms: 3,5-dichloro-4-[1-(2-ethoxyethyl)-4-phenyl-1H-imidazol-5-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8621724
• LogD (pH = 7.4): 3.9772685
• Log P: 3.9790034
• Molar Refractivity: 96.9322 cm^3
• Polarizability: 39.90605 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.14
• LOG S: -6.23
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 6