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

C23H17Cl2N3O — CID 71492824

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H17Cl2N3O/c24-19-12-10-16(11-13-19)22-21(27-23(28-22)17-6-2-1-3-7-17)14-26-29-15-18-8-4-5-9-20(18)25/h1-14,23H,15H2/b26-14+
InChIKeyIGDKZCBRBWMFKI-VULFUBBASA-N
MW422.32 g/mol
LogP6.14
Rot. Bonds6

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

(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (PubChem CID 71492824) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
PubChem CID71492824
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H17Cl2N3O/c24-19-12-10-16(11-13-19)22-21(27-23(28-22)17-6-2-1-3-7-17)14-26-29-15-18-8-4-5-9-20(18)25/h1-14,23H,15H2/b26-14+
InChIKeyIGDKZCBRBWMFKI-VULFUBBASA-N
XLogP6.14
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.14
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
(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-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492822
Oxazole, 5-(4-chlorophenyl)-2,5-dihydro-2,4-diphenyl-
CID 615486
[2-chloro-5-[C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenyl]methanamine
CID 141127542
2-(2-Chlorophenyl)-4,5-diphenylimidazol-2-ol
CID 151277453
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
CID 2765007
(E)-2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
CID 5707002
2-(4-benzylpiperazino)-1-phenyl-1-ethanone O-(4-chlorobenzyl)oxime
CID 6068880

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (CID 71492824) is (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is Clc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The InChIKey is IGDKZCBRBWMFKI-VULFUBBASA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-19-12-10-16(11-13-19)22-21(27-23(28-22)17-6-2-1-3-7-17)14-26-29-15-18-8-4-5-9-20(18)25/h1-14,23H,15H2/b26-14+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine has a molecular weight of 422.32 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is sourced from PubChem (CID 71492824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).