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

C24H20FN3O — CID 71492636

IUPAC(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESCc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O/c1-17-11-13-18(14-12-17)23-22(27-24(28-23)19-7-3-2-4-8-19)15-26-29-16-20-9-5-6-10-21(20)25/h2-15,24H,16H2,1H3/b26-15+
InChIKeyGEOSKVQDHWFGSE-CVKSISIWSA-N
MW385.44 g/mol
LogP5.28
Rot. Bonds6

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

(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (PubChem CID 71492636) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
PubChem CID71492636
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESCc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O/c1-17-11-13-18(14-12-17)23-22(27-24(28-23)19-7-3-2-4-8-19)15-26-29-16-20-9-5-6-10-21(20)25/h2-15,24H,16H2,1H3/b26-15+
InChIKeyGEOSKVQDHWFGSE-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

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-methylcyclohexan-1-imine
CID 53886958
(E)-1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 88363706
1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine
CID 139785535
N-[[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]methoxy]-1-phenylethanimine
CID 139785536
1-[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl]-N-methoxymethanimine
CID 139785538
3-tert-butyl-5-[4-[4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]phenyl]-3-methyl-2H-1,2,4-oxadiazole
CID 142879553
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-propoxycyclohexan-1-imine
CID 153712061
(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
CID 172947101
2-Methoxy-1-oxo-2,4,5-triphenyl-2H-1lambda~5~-imidazole
CID 71405490
3-(4-Methylphenyl)-6-phenyl-5-propan-2-yl-4,6-dihydro-1,2,5-oxadiazine
CID 134998431
N-[(2-fluorophenyl)methoxy]-1-methyl-2,6-diphenylpiperidin-4-imine
CID 11523926
1-[5-fluoro-2-(4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-(1-phenylethyl)methanimine
CID 25185242

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (CID 71492636) is (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is Cc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2F)cc1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The InChIKey is GEOSKVQDHWFGSE-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-11-13-18(14-12-17)23-22(27-24(28-23)19-7-3-2-4-8-19)15-26-29-16-20-9-5-6-10-21(20)25/h2-15,24H,16H2,1H3/b26-15+.
What are the key properties of (E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]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)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is sourced from PubChem (CID 71492636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).