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Also known as: 144689-93-0, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate, 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic acid ethyl ester, Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate, Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate
Molecular Formula
C12H20N2O3
Molecular Weight
240.30  g/mol
InChI Key
KZBJJAFGNMRRHN-UHFFFAOYSA-N

CAS 144689-93-0
1 2D Structure

CAS 144689-93-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)
2.1.3 InChI Key
KZBJJAFGNMRRHN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 144689-93-0

2. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

3. 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

4. Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-5-carboxylate

5. Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1h-imidazole-4-carboxylate

6. Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1h-imidazole-5-carboxylate

7. 1h-imidazole-4-carboxylic Acid,5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl Ester

8. Mfcd07787565

9. Ethyl 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylate

10. Ec 604-434-7

11. Schembl987234

12. Dtxsid40441791

13. Bcp12023

14. Zinc21298029

15. Akos015856335

16. Am84409

17. Ds-0283

18. Ex-a3316-3

19. 1h-imidazole-5-carboxylic Acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, Ethyl Ester

20. Sy021273

21. Cs-0131776

22. E0976

23. Ft-0647781

24. 689h930

25. A808262

26. Q-200401

27. Ethyl 5-(2-hydroxy-2-propanyl)-2-propyl-1h-imidazole-4-carboxylate

28. Ethyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

29. Ethyl4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

30. 2-propyl-4-(1-hydroxy-1-methylethyl)-1h-imidazole-5-carboxylic Acid Ethyl Ester

31. 2-propyl-5-(1-hydroxy-1-methylethyl)-3h-imidazole-4-carboxylic Acid Ethyl Ester

32. 4-(1-hydroxy-1-methylethyl)-2-propyl Imidazol-5-carboxylic Acid Ethyl Ester

33. 4-(2-hydroxy-2-propyl)-2-propyl-1h-imidazole-5-carboxylic Acid Ethyl Ester

34. 5-(1-hydroxy-1-methyl-ethyl)-2-propyl-1h-imidazole-4-carboxylic Acid Ethyl Ester

35. Olmesartan Impurity (ethyl 4-(1-hydroxy-1-methylethyl)-2- Propyl-imidazole-5-carboxylate)

36. 3-ethyl-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylate;olmesartan Impurity 2

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 240.30 g/mol
Molecular Formula C12H20N2O3
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass240.14739250 g/mol
Monoisotopic Mass240.14739250 g/mol
Topological Polar Surface Area75.2 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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