1.0 2016-06-03 12:22:28 UTC 2026-08-18 07:28:18 UTC 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline SmallMolecule 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline belongs to the imidazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C11H10F3N3 and an average molecular weight of 241.22 g/mol. The compound has been identified in or released from 19 recorded sources across several sectors. In aquatic systems and sediments, it is found in groundwater, surface water, seawater, and freshwater. It is also present in drinking water and water supply sources, including tap water, bottled water, and desalinated water. Within the wastewater, sanitation, and biosolids sector, the compound is recorded in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additional sources include irrigation water from agriculture and land management, as well as ballast water and bilge water from marine, shipping, and aquaculture operations. Furthermore, the substance is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. Recorded routes of exposure for this compound include oral, inhalation, and touch. PMT C11H10F3N3 241.217 241.082681823 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1 CC1=CN(C=N1)C1=CC(=CC(N)=C1)C(F)(F)F InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 WWTGXYAJVXKEKL-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Azoles Imidazoles Phenylimidazoles Alkyl fluorides Aniline and substituted anilines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives N-substituted imidazoles Organofluorides Organopnictogen compounds Primary amines Trifluoromethylbenzenes 1-phenylimidazole Alkyl fluoride Alkyl halide Amine Aniline or substituted anilines Aromatic heteromonocyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety N-substituted imidazole Organic nitrogen compound Organofluoride Organohalogen compound Organonitrogen compound Organopnictogen compound Primary amine Trifluoromethylbenzene Aromatic heteromonocyclic compounds Detected and Not Quantified logp 2.3 logp 2.18 ALOGPS logs -3.55 ALOGPS solubility 6.80e-02 g/l ALOGPS logp 1.92 ChemAxon pka_strongest_basic 6.29 ChemAxon iupac 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline ChemAxon average_mass 241.217 ChemAxon mono_mass 241.082681823 ChemAxon smiles CC1=CN(C=N1)C1=CC(=CC(N)=C1)C(F)(F)F ChemAxon formula C11H10F3N3 ChemAxon inchi InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 ChemAxon inchikey WWTGXYAJVXKEKL-UHFFFAOYSA-N ChemAxon polar_surface_area 43.84 ChemAxon refractivity 69.27 ChemAxon polarizability 21.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227941f60> 12002825 10175292