2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine

C15H16F3N3O — CID 68724684

IUPAC2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCCCOC(/C=N/c1ccccc1C(F)(F)F)c1ncc[nH]1
InChIInChI=1S/C15H16F3N3O/c1-2-9-22-13(14-19-7-8-20-14)10-21-12-6-4-3-5-11(12)15(16,17)18/h3-8,10,13H,2,9H2,1H3,(H,19,20)/b21-10+
InChIKeyWDEYCKNJZRJXKJ-UFFVCSGVSA-N
MW311.31 g/mol
LogP4.30
Rot. Bonds6

About 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine

2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 68724684) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID68724684
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCCCOC(/C=N/c1ccccc1C(F)(F)F)c1ncc[nH]1
InChIInChI=1S/C15H16F3N3O/c1-2-9-22-13(14-19-7-8-20-14)10-21-12-6-4-3-5-11(12)15(16,17)18/h3-8,10,13H,2,9H2,1H3,(H,19,20)/b21-10+
InChIKeyWDEYCKNJZRJXKJ-UFFVCSGVSA-N
XLogP4.30
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 68724684) is 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine is CCCOC(/C=N/c1ccccc1C(F)(F)F)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is WDEYCKNJZRJXKJ-UFFVCSGVSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-2-9-22-13(14-19-7-8-20-14)10-21-12-6-4-3-5-11(12)15(16,17)18/h3-8,10,13H,2,9H2,1H3,(H,19,20)/b21-10+.
What are the key properties of 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine?
2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 311.31 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-propoxy-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 68724684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).