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2D Structure
Also known as: 68282-49-5, 2-butyl-5-formylimidazole, 2-butyl-1h-imidazole-5-carbaldehyde, 2-butyl-4-formylimidazole, 2-butyl-1h-imidazole-5-carboxaldehyde, 2-butyl-4-imidazolyl formaldehyde
Molecular Formula
C8H12N2O
Molecular Weight
152.19  g/mol
InChI Key
PTHGVOCFAZSNNA-UHFFFAOYSA-N
FDA UNII
U12G73SQSX

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-butyl-1H-imidazole-5-carbaldehyde
2.1.2 InChI
InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
2.1.3 InChI Key
PTHGVOCFAZSNNA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=NC=C(N1)C=O
2.2 Other Identifiers
2.2.1 UNII
U12G73SQSX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 68282-49-5

2. 2-butyl-5-formylimidazole

3. 2-butyl-1h-imidazole-5-carbaldehyde

4. 2-butyl-4-formylimidazole

5. 2-butyl-1h-imidazole-5-carboxaldehyde

6. 2-butyl-4-imidazolyl Formaldehyde

7. 1h-imidazole-4-carboxaldehyde, 2-butyl-

8. 1h-imidazole-5-carboxaldehyde, 2-butyl-

9. 2-n-butyl-4-imidazolecarboxaldehyde

10. 2-n-butyl-5-imidazolecarboxaldehyde

11. U12g73sqsx

12. 2-butylimidazole-4-carboxaldehyde

13. Unii-u12g73sqsx

14. 1h-imidazole-5-carboxaldehyde,2-butyl-

15. 2-butylimidazol-5-aldehyde

16. 2-n-butyl-5-formylimidazole

17. Schembl633213

18. Dtxsid50218431

19. Bcp12028

20. Zinc2572502

21. Mfcd01075030

22. 2-butyl-3h-imidazole-4-carbaldehyde

23. Akos006223225

24. 2-butyl-3h-imidazole-4-carboxaldehyde

25. 2-n-butyl-1h-imidazole-4-carbaldehyde

26. Ab42979

27. Ac-8738

28. Ps-4369

29. Bp-10338

30. Db-015191

31. B4064

32. Cs-0206435

33. Ft-0611631

34. D86458

35. 2-butyl-1h-imidazole-4-carbaldehyde, Aldrichcpr

36. 282b495

37. A836077

38. At-419/43501262

39. J-508570

40. Q27290542

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 152.19 g/mol
Molecular Formula C8H12N2O
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass152.094963011 g/mol
Monoisotopic Mass152.094963011 g/mol
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1