The molecular formula of the compound is C16H12F3N5O3.
What are the synonyms of the compound?
The synonyms of the compound are 927880-88-4 benzenamine,n-methyl-2-nitro-4-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-, N-methyl-2-nitro-4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyaniline, and N-Methyl-2-nitro-4-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yl)oxy)aniline, among others.
What is the computed IUPAC name of the compound?
The computed IUPAC name of the compound is N-methyl-2-nitro-4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyaniline.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H12F3N5O3/c1-20-11-3-2-9(7-13(11)24(25)26)27-10-4-5-21-12(6-10)15-22-8-14(23-15)16(17,18)19/h2-8,20H,1H3,(H,22,23).
What is the InChIKey of the compound?
The InChIKey of the compound is CQGJWPNMUUWFGQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C3=NC=C(N3)C(F)(F)F)[N+](=O)[O-].
What is the molecular weight of the compound?
The molecular weight of the compound is 379.29 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.5.
How many hydrogen bond donor and acceptor counts does the compound have?
The compound has 2 hydrogen bond donor counts and 9 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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![n1-Methyl-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1,2-benzenediamine](https://resource.alfa-chemistry.com/structure/927880-89-5.gif)
