CAS 144689-93-0

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Chemistry

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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

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 Formula	C₁₂H₂₀N₂O₃
Molecular Weight	240.30 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	240.14739250 g/mol
Monoisotopic Mass	240.14739250 g/mol
Topological Polar Surface Area	75.2 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