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    CAS 641571-11-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 641571-11-1, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-, 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline, 5lli0q7app, 1-(3-amino-5-trifluoromethylphenyl)-4-methylimidazole
    Molecular Formula
    C11H10F3N3
    Molecular Weight
    241.21  g/mol
    InChI Key
    WWTGXYAJVXKEKL-UHFFFAOYSA-N
    FDA UNII
    5LLI0Q7APP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
    2.1.2 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
    2.1.3 InChI Key
    WWTGXYAJVXKEKL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    5LLI0Q7APP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 641571-11-1

    2. 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

    3. Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-

    4. 3-(4-methyl-1h-imidazol-1-yl)-5-trifluoromethylaniline

    5. 5lli0q7app

    6. 1-(3-amino-5-trifluoromethylphenyl)-4-methylimidazole

    7. Mfcd11846236

    8. 3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)aniline

    9. 3-(4-methyl-1h-imidazole-1-yl)-5-(trifluoromethyl)aniline

    10. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)benzenamine

    11. 3-(trifluoromethyl)-5-(4-methyl-1h-imidazol-1-yl)benzenamine

    12. Nilotinib Impurity A

    13. Unii-5lli0q7app

    14. Ec 688-269-6

    15. Schembl589390

    16. Schembl1505804

    17. Dtxsid10475604

    18. Bcp04529

    19. Zinc84397771

    20. Akos015842181

    21. Ac-8508

    22. Cs-w019667

    23. Gs-4414

    24. Mb10071

    25. Sy015266

    26. A8805

    27. Am20090650

    28. Ft-0655008

    29. M2634

    30. Nilotinib Related Compound A [usp-rs]

    31. 571m111

    32. Q-101351

    33. 1-[3-amino-5-(trifluoromethyl)phenyl]-4-methylimidazole

    34. 3-(4-methylimidazol-1-yl)-5-trifluoromethyl-phenylamine

    35. 3-(4-methylimidazol-1-yl)-5-trifluoromethylphenylamine

    36. 3-(4-methyl-1h-imidazol-1yl)-5-(trifluoromethyl)aniline

    37. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl) Aniline ?

    38. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)-benzenamine

    39. 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)benzeneamine

    40. 5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine

    41. 5-(4-methyl-1h-imidazol-1-yl)-3-trifluoromethyl-phenylamine

    42. 3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenylamine

    43. Nilotinib Hydrochloride Monohydrate Impurity A [ep Impurity]

    44. Benzenamine, 3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)

    2.4 Create Date
    2007-02-05
    3 Chemical and Physical Properties
    Molecular Weight 241.21 g/mol
    Molecular Formula C11H10F3N3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass241.08268182 g/mol
    Monoisotopic Mass241.08268182 g/mol
    Topological Polar Surface Area43.8 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity269
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1