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

C23H16Cl3N3O — CID 71493004

IUPAC(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c24-18-9-6-15(7-10-18)22-21(28-23(29-22)16-4-2-1-3-5-16)13-27-30-14-17-8-11-19(25)12-20(17)26/h1-13,23H,14H2/b27-13+
InChIKeyWFTNDTRFIJIJOJ-UVHMKAGCSA-N
MW456.76 g/mol
LogP6.79
Rot. Bonds6

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

(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (PubChem CID 71493004) has the molecular formula C23H16Cl3N3O and a molecular weight of 456.76 g/mol. Its IUPAC name is (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
PubChem CID71493004
Molecular FormulaC23H16Cl3N3O
Molecular Weight456.76 g/mol
Exact Mass455.04
IUPAC Name(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c24-18-9-6-15(7-10-18)22-21(28-23(29-22)16-4-2-1-3-5-16)13-27-30-14-17-8-11-19(25)12-20(17)26/h1-13,23H,14H2/b27-13+
InChIKeyWFTNDTRFIJIJOJ-UVHMKAGCSA-N
XLogP6.79
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 56.79
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

1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695436
1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695437
(1e,4e)-1,5-diphenylpenta-1,4-dien-3-one O-(2,4-dichlorobenzyl) oxime
CID 138377268
(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-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492822
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
CID 141076402
[2-chloro-5-[C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenyl]methanamine
CID 141127542
4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine
CID 15311758
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine
CID 66554989
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine
CID 66555159
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-phenylmethoxymethanimine
CID 71492478
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
CID 71492480

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (CID 71493004) is (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is Clc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The InChIKey is WFTNDTRFIJIJOJ-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H16Cl3N3O/c24-18-9-6-15(7-10-18)22-21(28-23(29-22)16-4-2-1-3-5-16)13-27-30-14-17-8-11-19(25)12-20(17)26/h1-13,23H,14H2/b27-13+.
What are the key properties of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine has a molecular weight of 456.76 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is sourced from PubChem (CID 71493004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).