Imidocarb Dipropionate

Synopsis, Chemistry

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Also known as: 55750-06-6, Imizol, Imidocarb (dipropionate), Imidocarb propionate, Zsm1m03shc, Ncgc00166399-01

Molecular Formula

C₂₅H₃₂N₆O₅

Molecular Weight

496.6 g/mol

InChI Key

AFGQXWSHYUHHNV-UHFFFAOYSA-N

FDA UNII

ZSM1M03SHC

1 2D Structure

Imidocarb Dipropionate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid

2.1.2 InChI

InChI=1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)

2.1.3 InChI Key

AFGQXWSHYUHHNV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4

2.2 Other Identifiers

2.2.1 UNII

ZSM1M03SHC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Imizol

2.3.2 Depositor-Supplied Synonyms

1. 55750-06-6

2. Imizol

3. Imidocarb (dipropionate)

4. Imidocarb Propionate

5. Zsm1m03shc

6. Ncgc00166399-01

7. N,n'-bis(3-(4,5-dihydro-1h-imidazol-2-yl)phenyl)urea Dipropionate

8. Dsstox_cid_26604

9. Dsstox_rid_81759

10. Dsstox_gsid_46604

11. 1,3-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea;propanoic Acid

12. 1,3-bis(3-(4,5-dihydro-1h-imidazol-2-yl)phenyl)urea Dipropionate

13. N,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea, Dipropanoate

14. Propanoic Acid, Compd. With N,n'-bis(3-(4,5-dihydro-1h-imidazol-2-yl)phenyl)urea (2:1)

15. Einecs 259-791-8

16. Cas-55750-06-6

17. Imidocarb 100 Microg/ml In Methanol

18. Unii-zsm1m03shc

19. Propanoic Acid, Compd. With N,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea (2:1)

20. 2-yl)phenyl)urea Dipropionate

21. Schembl2885201

22. Chembl1362780

23. Dtxsid4046604

24. Ex-a981

25. Bcp12142

26. Tox21_112415

27. 1,3-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea,propanoic Acid

28. Mfcd00013161

29. S5214

30. Akos015888295

31. Imidocarb Dipropionate [mart.]

32. Tox21_112415_1

33. Ccg-269667

34. Ncgc00174046-02

35. Ac-20135

36. As-17387

37. 1,3-bis(3-(4,5-dihydro-1h-imidazol-

38. Imidocarb Dipropionate [green Book]

39. Db-050101

40. Hy-107496

41. Cs-0028632

42. Ft-0630686

43. I0957

44. F17388

45. A830788

46. Q-201233

47. Q27295871

48. N,n'-bis(3-(4,5-dihydro-1h-imidazol-2-yl)-phenyl)

49. 3,3'-di-2-imidazolin-2-ylcarbanilide Dipropionate

50. Imidocarb Dipropionate, Vetranal(tm), Analytical Standard

51. Imidocarb Dipropionate, Antibiotic For Culture Media Use Only

52. 1,3-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea; Propanoic Acid

53. Propanoic Acid, Compd. With Urea, N,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]- (2:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₂N₆O₅
Molecular Weight	496.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	496.24341814 g/mol
Monoisotopic Mass	496.24341814 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	567
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	3