CAS 79047-41-9

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Also known as: 79047-41-9, (2-butyl-5-chloro-1h-imidazol-4-yl)methanol, 2-butyl-5-chloroimidazole-4-methanol, 2-butyl-4-chloro-5-(hydroxymethyl)imidazole, 2-butyl-4-chloro-1h-imidazole-5-methanol, Losartan impurity 1

Molecular Formula

C₈H₁₃ClN₂O

Molecular Weight

188.65 g/mol

InChI Key

DXSZKDOOHOBZMT-UHFFFAOYSA-N

1 2D Structure

CAS 79047-41-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-butyl-4-chloro-1H-imidazol-5-yl)methanol

2.1.2 InChI

InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)

2.1.3 InChI Key

DXSZKDOOHOBZMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=NC(=C(N1)CO)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79047-41-9

2. (2-butyl-5-chloro-1h-imidazol-4-yl)methanol

3. 2-butyl-5-chloroimidazole-4-methanol

4. 2-butyl-4-chloro-5-(hydroxymethyl)imidazole

5. 2-butyl-4-chloro-1h-imidazole-5-methanol

6. Losartan Impurity 1

7. 2-butyl-4-chloro-5-hydroxymethylimidazole

8. 2-butyl-5-chloro-4-hydroxymethylimidazole

9. Losartan Ep Impurity A

10. Schembl225

11. Dtxsid10370867

12. Zinc4692810

13. Mfcd01934397

14. Akos000278660

15. Akos006228099

16. Cs-w015982

17. Ts-00238

18. 2-n-butyl-4-chloro-5-hydroxymethylimidazole

19. A9888

20. Ft-0604611

21. 2-butyl-4- Chloro-5-(hydroxymethyl) Imidazole

22. 2-butyl-4-chloro-5-hydroxymethyl-1h-imidazole

23. D83212

24. 2-butyl-4(5)-chloro-5(4)imidazolecarboxaldehyde

25. 2-butyl-4-chloro-5-(hydroxymethyl)imidazole, 97%

26. (2-butyl-5-chloro-1h-imidazol-4-yl)methanol, Aldrichcpr

27. 2-butyl-4-chloro-1h-imidazol-5-ol;2-butyl-4-chloro-5-(hydroxymethyl)imidazole

28. 2-butyl4-methanol; 5-chloro-2-butyl-imidazole-4-methanol; 2-butyl-4-chloro-5-(hydroxymethyl)imidazole; 2-n-butyl-4-chloro-5-(hydroxymethyl)imidazole

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃ClN₂O
Molecular Weight	188.65 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	188.0716407 g/mol
Monoisotopic Mass	188.0716407 g/mol
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
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