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

C24H20FN3O — CID 71492820

IUPAC(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine
SMILESCc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O/c1-17-7-5-6-10-20(17)16-29-26-15-22-23(18-11-13-21(25)14-12-18)28-24(27-22)19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b26-15+
InChIKeyMDUQZONTBBUFLW-CVKSISIWSA-N
MW385.44 g/mol
LogP5.28
Rot. Bonds6

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

(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine (PubChem CID 71492820) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine
PubChem CID71492820
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine
SMILESCc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O/c1-17-7-5-6-10-20(17)16-29-26-15-22-23(18-11-13-21(25)14-12-18)28-24(27-22)19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b26-15+
InChIKeyMDUQZONTBBUFLW-CVKSISIWSA-N
XLogP5.28
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.28
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

5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
(E)-1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 88363706
1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 139785538
3-(2-Methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910029
5-(4-Fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole
CID 146178930
(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine
CID 166959749
(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
CID 172947101
1-(3-fluorophenyl)-N-[(2-phenylphenyl)methoxy]methanimine
CID 173605748
1-(4-fluorophenyl)-N-[(2-phenylphenyl)methoxy]methanimine
CID 173605906
1-(2-fluorophenyl)-N-[(2-phenylphenyl)methoxy]methanimine
CID 173606053
(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2346998
(5S)-5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2645872

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine (CID 71492820) is (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine is Cc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccc(F)cc1.
What is the InChIKey of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine?
The InChIKey is MDUQZONTBBUFLW-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-7-5-6-10-20(17)16-29-26-15-22-23(18-11-13-21(25)14-12-18)28-24(27-22)19-8-3-2-4-9-19/h2-15,24H,16H2,1H3/b26-15+.
What are the key properties of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine?
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine has a molecular weight of 385.44 g/mol, XLogP of 5.28, 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-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 71492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).