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ACTIVE PHARMA INGREDIENTS

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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 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 Formula	C₂₇H₃₇ClN₂
Molecular Weight	425.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	424.2645269 g/mol
Monoisotopic Mass	424.2645269 g/mol
Topological Polar Surface Area	8.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	421
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	2