(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

C21H20F3N3O2 — CID 118248854

IUPAC(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C)cn2)cc1
InChIInChI=1S/C21H20F3N3O2/c1-15(26-29-12-16-3-7-18(8-4-16)21(22,23)24)17-5-9-20(10-6-17)28-13-19-11-27(2)14-25-19/h3-11,14H,12-13H2,1-2H3/b26-15+
InChIKeyPRTDCUVVXCHFFX-CVKSISIWSA-N
MW403.40 g/mol
LogP4.96
Rot. Bonds7

About (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 118248854) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID118248854
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C)cn2)cc1
InChIInChI=1S/C21H20F3N3O2/c1-15(26-29-12-16-3-7-18(8-4-16)21(22,23)24)17-5-9-20(10-6-17)28-13-19-11-27(2)14-25-19/h3-11,14H,12-13H2,1-2H3/b26-15+
InChIKeyPRTDCUVVXCHFFX-CVKSISIWSA-N
XLogP4.96
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 118248854) is (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCc2cn(C)cn2)cc1.
What is the InChIKey of (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is PRTDCUVVXCHFFX-CVKSISIWSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-15(26-29-12-16-3-7-18(8-4-16)21(22,23)24)17-5-9-20(10-6-17)28-13-19-11-27(2)14-25-19/h3-11,14H,12-13H2,1-2H3/b26-15+.
What are the key properties of (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
(E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 403.40 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(1-methylimidazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 118248854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).