Molecular Identity
Triflumizole
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
PubChem CID: 91699
Triflumizole is a carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of imidazoles, an ether, a carboxamidine, a member of monochlorobenzenes, a member of (trifluoromethyl)benzenes, a conazole fungicide and an imidazole fungicide.
2D Structure
Properties
C15H15ClF3N3O
Molecular Formula
345.75
Molecular Weight
g/mol
345.0856
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
39.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
406
Complexity
SMILES
Canonical SMILES
SMILES: CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2Isomeric SMILES
SMILES: CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2Synonyms(20)
Triflumizole68694-11-1TriflumizolTerraguardTrifmineProcureTrifumineCondortrifuminNF-114DTXSID20325007J6Y4H9MV5SSP-11(E)-4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triflumizole
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