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

C23H18FN3O — CID 71492641

IUPAC(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H18FN3O/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+
InChIKeyHOHQEWACZLDNNQ-MFKUBSTISA-N
MW371.42 g/mol
LogP4.97
Rot. Bonds6

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

(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (PubChem CID 71492641) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
PubChem CID71492641
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H18FN3O/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+
InChIKeyHOHQEWACZLDNNQ-MFKUBSTISA-N
XLogP4.97
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.97
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

(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
(E)-N-[(3-fluorophenyl)methyl]-N'-phenylmethoxyethane-1,2-diimine
CID 172947101
1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine
CID 15695435
2-Methoxy-1-oxo-2,4,5-triphenyl-2H-1lambda~5~-imidazole
CID 71405490
5-Butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
CID 86248628
5-Cyclohexyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
CID 101776361
N-[1-(4-fluorophenyl)ethyl]-1-[2-[(4S)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]methanimine
CID 25185522
1-[5-fluoro-2-[(4S)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-(1-phenylethyl)methanimine
CID 25185524
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-[(2-fluorophenyl)methoxy]methanimine
CID 71492479

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine (CID 71492641) is (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine is Fc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2)cc1.
What is the InChIKey of (E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
The InChIKey is HOHQEWACZLDNNQ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18FN3O/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-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine?
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine has a molecular weight of 371.42 g/mol, XLogP of 4.97, 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-phenylmethoxymethanimine is sourced from PubChem (CID 71492641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).