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

C23H18ClN3O — CID 71492823

IUPAC(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)22-21(15-25-28-16-17-7-3-1-4-8-17)26-23(27-22)19-9-5-2-6-10-19/h1-15,23H,16H2/b25-15+
InChIKeyQCOHHGYMTMWJGD-MFKUBSTISA-N
MW387.87 g/mol
LogP5.49
Rot. Bonds6

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

(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (PubChem CID 71492823) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
PubChem CID71492823
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESClc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)22-21(15-25-28-16-17-7-3-1-4-8-17)26-23(27-22)19-9-5-2-6-10-19/h1-15,23H,16H2/b25-15+
InChIKeyQCOHHGYMTMWJGD-MFKUBSTISA-N
XLogP5.49
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.49
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

2,6-bis(4-chlorophenyl)-1-methyl-N-phenylmethoxypiperidin-4-imine
CID 76312211
1-(4-chlorophenyl)-N-[2-[5-(4-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695437
5-(4-Chlorophenyl)-2-hydroxy-2,4-diphenyl-2h-pyrrole-1-oxide
CID 129713520
2-(4-Chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole
CID 134159694
(2Z,3S,4S)-2-[(4-chlorophenyl)methylidene]-3-phenyl-4-phenylselanyl-1,2-oxazolidin-2-ium bromide
CID 134883777
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-[(2-fluorophenyl)methoxy]methanimine
CID 71492479
(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492636
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492641
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine
CID 71492820
(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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (CID 71492823) is (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine is Clc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1.
What is the InChIKey of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The InChIKey is QCOHHGYMTMWJGD-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)22-21(15-25-28-16-17-7-3-1-4-8-17)26-23(27-22)19-9-5-2-6-10-19/h1-15,23H,16H2/b25-15+.
What are the key properties of (E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine has a molecular weight of 387.87 g/mol, XLogP of 5.49, 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-phenylmethoxymethanimine is sourced from PubChem (CID 71492823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).