2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine

C16H17ClF3N3O — CID 14327501

IUPAC2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine
SMILESCCC(C)OC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C16H17ClF3N3O/c1-3-11(2)24-9-15(23-7-6-21-10-23)22-14-5-4-12(17)8-13(14)16(18,19)20/h4-8,10-11H,3,9H2,1-2H3/b22-15+
InChIKeyYFDQXXBOIXZTAN-PXLXIMEGSA-N
MW359.78 g/mol
LogP4.95
Rot. Bonds5

About 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine

2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine (PubChem CID 14327501) has the molecular formula C16H17ClF3N3O and a molecular weight of 359.78 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine.

Molecular Properties

Compound Name2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine
PubChem CID14327501
Molecular FormulaC16H17ClF3N3O
Molecular Weight359.78 g/mol
Exact Mass359.10
IUPAC Name2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine
SMILESCCC(C)OC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
InChIInChI=1S/C16H17ClF3N3O/c1-3-11(2)24-9-15(23-7-6-21-10-23)22-14-5-4-12(17)8-13(14)16(18,19)20/h4-8,10-11H,3,9H2,1-2H3/b22-15+
InChIKeyYFDQXXBOIXZTAN-PXLXIMEGSA-N
XLogP4.95
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine?
The IUPAC name of 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine (CID 14327501) is 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine.
What is the SMILES notation for 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine?
The canonical SMILES for 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine is CCC(C)OC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1.
What is the InChIKey of 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine?
The InChIKey is YFDQXXBOIXZTAN-PXLXIMEGSA-N. The full InChI is InChI=1S/C16H17ClF3N3O/c1-3-11(2)24-9-15(23-7-6-21-10-23)22-14-5-4-12(17)8-13(14)16(18,19)20/h4-8,10-11H,3,9H2,1-2H3/b22-15+.
What are the key properties of 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine?
2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine has a molecular weight of 359.78 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-ylethanimine is sourced from PubChem (CID 14327501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).