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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

CAS 641571-11-1
1 2D Structure

CAS 641571-11-1

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

BUILDING BLOCK

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