CAS 22884-10-2

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1 Related Intermediates

Chemistry

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Also known as: 22884-10-2, Imidazol-1-yl-acetic acid, 1h-imidazole-1-acetic acid, 1h-imidazol-1-ylacetic acid, Imidazole-1-acetic acid, 2-imidazol-1-ylacetic acid

Molecular Formula

C₅H₆N₂O₂

Molecular Weight

126.11 g/mol

InChI Key

QAFBDRSXXHEXGB-UHFFFAOYSA-N

FDA UNII

WHC1J1G932

1 2D Structure

CAS 22884-10-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-imidazol-1-ylacetic acid

2.1.2 InChI

InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)

2.1.3 InChI Key

QAFBDRSXXHEXGB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN(C=N1)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

WHC1J1G932

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 22884-10-2

2. Imidazol-1-yl-acetic Acid

3. 1h-imidazole-1-acetic Acid

4. 1h-imidazol-1-ylacetic Acid

5. Imidazole-1-acetic Acid

6. 2-imidazol-1-ylacetic Acid

7. Imidazol-1-ylacetic Acid

8. (1-imidazolyl)acetic Acid

9. 1-imidazoleacetic Acid

10. Imidazol-1-yl Acetic Acid

11. 1-imidazolylacetic Acid

12. Zoledronic Acid Related Compound A

13. Chebi:70801

14. Mfcd01721800

15. 2-(1-imidazolyl)acetic Acid

16. 2-(imidazol-1-yl)acetic Acid

17. Chembl297390

18. Whc1j1g932

19. (1h-imidazol-1-yl)acetic Acid

20. [1h-imidazol-1-yl]acetic Acid

21. 1-(carboxymethyl)imidazole

22. Unii-whc1j1g932

23. Zoledronic Acid Related Compound A Rs [usp]

24. Imidazole-1-yl-acetic Acid

25. 1h-imidazolylacetic Acid Hcl

26. Schembl77978

27. 2-(n-imidazolyl)acetic Acid

28. Mls000074022

29. 1h-imidazole-1-ylacetic Acid

30. Qafbdrsxxhexgb-uhfffaoysa-

31. 2-(imidazole-1-yl)-acetic Acid

32. Dtxsid20177425

33. Hms1684c18

34. Hms2349e08

35. 2-(1h-imidazol-1-yl)aceticacid

36. 2-(3h-imidazol-4-yl)acetic Acid

37. Albb-000273

38. Bbl001468

39. Bdbm50026406

40. Stk260846

41. Zinc19735340

42. Akos000137844

43. Ab09874

44. Cs-w011164

45. Hy-w010448

46. Rs-0402

47. 2-imidazol-1-ylacetic Acid,hydrochloride

48. 1h-imidazol-1-ylacetic Acid, Aldrichcpr

49. Ac-20545

50. Bp-11530

51. Smr000013538

52. Sy003214

53. 3-(carboxylatomethyl)-1h-imidazole-3-ium

54. Db-019366

55. Am20090233

56. Bb 0240486

57. Ft-0638263

58. Ft-0670304

59. I0670

60. Ec-000.1971

61. A24846

62. Ab00419076-07

63. Ab00419076-09

64. 884i102

65. J-014887

66. J-521520

67. Zoledronic Acid Related Compound A [usp-rs]

68. Q27139105

69. Z57396183

70. F8881-7832

71. Zoledronic Acid Related Compound A [usp Impurity]

72. Imidazol-1-yl-essigsaeure, 1h-imidazole-1-acetic Acid, Imidazole-1-acetic Acid

2.3.2 Other Synonyms

1. 22884-10-2

2. Imidazole-1-yl-acetic Acid

2.4 Create Date

2005-06-04

3 Chemical and Physical Properties

Molecular Formula	C₅H₆N₂O₂
Molecular Weight	126.11 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.042927438 g/mol
Monoisotopic Mass	126.042927438 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116
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