[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine

• ChemBase ID: 798335
• Molecular Formular: C18H13Cl4N3O
• Molecular Mass: 429.12732
• Monoisotopic Mass: 426.98127277
• SMILES: C(=NOCc1c(cc(cc1)Cl)Cl)(Cn1cncc1)c1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1
• InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2
• InChIKey: QRJJEGAJXVEBNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine
• IUPAC Traditional name: [1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine
• Synonyms: 1-(2,4-dichlorophenyl)-n-((2,4-dichlorophenyl)methoxy)-2-imidazol-1-yl-ethanimine

Database IDs

• CAS Number: 64211-45-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.312205
• LogD (pH = 7.4): 5.7768106
• Log P: 5.8387666
• Molar Refractivity: 105.947 cm^3
• Polarizability: 40.834076 Å^3
• Polar Surface Area: 39.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%