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Chemistry

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Also known as: 250285-32-6, 1,3-bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium chloride, 1,3-bis(2,6-di-i-propylphenyl)imidazolium chloride, 2,5-bis(2,6-diisopropylphenyl)imidazolium chloride, Mfcd02684545, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-1h-imidazolium chloride
Molecular Formula
C27H37ClN2
Molecular Weight
425.0  g/mol
InChI Key
AVJBQMXODCVJCJ-UHFFFAOYSA-M

1,3-Bis-2,6-Diisopropylphenyl-Imidazolium Chloride
1 2D Structure

1,3-Bis-2,6-Diisopropylphenyl-Imidazolium Chloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
2.1.2 InChI
InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1
2.1.3 InChI Key
AVJBQMXODCVJCJ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 250285-32-6

2. 1,3-bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium Chloride

3. 1,3-bis(2,6-di-i-propylphenyl)imidazolium Chloride

4. 2,5-bis(2,6-diisopropylphenyl)imidazolium Chloride

5. Mfcd02684545

6. 1,3-bis[2,6-bis(1-methylethyl)phenyl]-1h-imidazolium Chloride

7. 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride

8. 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3h-1lambda5-imidazol-1-ylium Chloride

9. 1,3-bis[2,6-diisopropylphenyl]imidazolium Chloride

10. 1,3-bis(2,6-di-i-propylphenyl)imidazoliumchloride

11. Schembl360316

12. Yszc1308

13. 1,3-bis(2,6-diisopropylphenyl)imidazolium Chloride, 97%

14. Dtxsid40370572

15. 1,3-bis-(2,6-diisopropyl-phenyl)-3h-imidazol-1-ium Chloride

16. Amy14361

17. Akos015909582

18. Ab12644

19. Cs-w001127

20. Ds-1503

21. Sc11683

22. Sy009873

23. Db-000108

24. D3611

25. Ft-0647536

26. 1,3-(2,6-diisopropylphenyl)imidazolium Chloride

27. 1,3-bis(2,6-diisopropylphenyl)imidazoliumchloride

28. A817614

29. 1,3 Bis(2,6-di-i-propylphenyl)imidazolium Chloride

30. J-503876

31. N,n'-bis(2,6-diisopropylphenyl)imidazolium Chloride

32. 1,3-bis(2,6-di-i-propylphenyl) Imidazolium Chloride

33. 1,3-bis(2,6-di-i-propylphenyl)-imidazolium Chloride

34. 1,3-bis(2,6-di-iso-propylphenyl)imidazolium Chloride

35. Z1741968357

36. 1,3-bis(2,6-diisopropylphenyl)-1h-imidazole-3-ium Chloride

37. 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium,chloride

38. 1 Pound Not3-bis(2 Pound Not6-diisopropylphenyl)imidazolium Chloride

39. 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3h-1

40. E?-imidazol-1-ylium Chloride

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 425.0 g/mol
Molecular Formula C27H37ClN2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass424.2645269 g/mol
Monoisotopic Mass424.2645269 g/mol
Topological Polar Surface Area8.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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