(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine

C23H16Cl2FN3O — CID 71492822

IUPAC(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl2FN3O/c24-18-9-6-17(20(25)12-18)14-30-27-13-21-22(15-7-10-19(26)11-8-15)29-23(28-21)16-4-2-1-3-5-16/h1-13,23H,14H2/b27-13+
InChIKeyXUFXEJXNWFURRW-UVHMKAGCSA-N
MW440.31 g/mol
LogP6.28
Rot. Bonds6

About (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (PubChem CID 71492822) has the molecular formula C23H16Cl2FN3O and a molecular weight of 440.31 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
PubChem CID71492822
Molecular FormulaC23H16Cl2FN3O
Molecular Weight440.31 g/mol
Exact Mass439.07
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl2FN3O/c24-18-9-6-17(20(25)12-18)14-30-27-13-21-22(15-7-10-19(26)11-8-15)29-23(28-21)16-4-2-1-3-5-16/h1-13,23H,14H2/b27-13+
InChIKeyXUFXEJXNWFURRW-UVHMKAGCSA-N
XLogP6.28
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.31
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 9583523
4-Chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-[(dimethylamino)methylidene]benzene-1-carboximidamide
CID 2805417
4-chloro-N'-[(2-chloro-6-fluorophenyl)methoxy]-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 40483835
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-[(2-fluorophenyl)methoxy]methanimine
CID 71492479
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492641
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492821
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
CID 71492480
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492637
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492823
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492824
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
CID 71493004
(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
CID 71493005

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (CID 71492822) is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is Fc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The InChIKey is XUFXEJXNWFURRW-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H16Cl2FN3O/c24-18-9-6-17(20(25)12-18)14-30-27-13-21-22(15-7-10-19(26)11-8-15)29-23(28-21)16-4-2-1-3-5-16/h1-13,23H,14H2/b27-13+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine has a molecular weight of 440.31 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is sourced from PubChem (CID 71492822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).