CAS 641571-11-1

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Chemistry

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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

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 Formula	C₁₁H₁₀F₃N₃
Molecular Weight	241.21 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	241.08268182 g/mol
Monoisotopic Mass	241.08268182 g/mol
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1