MolPort-001-684-430

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Also known as: 27885-92-3, 1,3-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea, Imidocarbum, Imidocarbe, Imidocarbo, 1,3-bis(3-(2-imidazolin-2-yl)phenyl)urea

Molecular Formula

C₁₉H₂₀N₆O

Molecular Weight

348.4 g/mol

InChI Key

SCEVFJUWLLRELN-UHFFFAOYSA-N

FDA UNII

8USS3K0VDH

One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported.

1 2D Structure

MolPort-001-684-430

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C19H20N6O/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/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)

2.1.3 InChI Key

SCEVFJUWLLRELN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

8USS3K0VDH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dihydrochloride, Imidocarb

2. Hydrochloride, Imidocarb

3. Imidocarb Dihydrochloride

4. Imidocarb Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 27885-92-3

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

3. Imidocarbum

4. Imidocarbe

5. Imidocarbo

6. 1,3-bis(3-(2-imidazolin-2-yl)phenyl)urea

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

8. Imizol

9. 1,3-bis(3-(2-imidazolin-2-yl)phenyl)harnstoff

10. Tcmdc-124304

11. 8uss3k0vdh

12. Carbanilide, 3,3'-di-2-imidazolin-2-yl-

13. Chembl427342

14. Chebi:51804

15. Nsc 51189

16. Imidocarb (inn)

17. 3,3'-di-2-imidazolin-2-ylcarbanilide

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

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

20. Imidocarb [inn]

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

22. Imidocarb [inn:ban]

23. Mls001336005

24. Imidocarbe [inn-french]

25. Imidocarbum [inn-latin]

26. Imidocarbo [inn-spanish]

27. Nsc51189

28. Imidocarb 100 Microg/ml In Methanol

29. Smr000875323

30. Einecs 248-711-7

31. Unii-8uss3k0vdh

32. 1,3-bis(3-(4,5-dihydro-1h-imidazol-2-yl)phenyl)urea

33. Brn 0964732

34. Imizad (dipropionate)

35. Imizol (dipropionate)

36. 1,3-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]urea;propanoic Acid

37. Imidocarb [mi]

38. 4a65 (dihydrochloride)

39. Imidocarb [mart.]

40. Imizocarb (dihydrochloride)

41. Imizol [veterinary] (tn)

42. Timtec1_002508

43. 5-25-11-00011 (beilstein Handbook Reference)

44. Schembl203921

45. Cid_114961

46. Dtxsid0048345

47. Bdbm79241

48. Zinc73661

49. Hms1541b22

50. Kuc108633n

51. Amy13633

52. Bcp22333

53. Imidocarbum; Imidocarbe; Imidocarbo

54. Fd7211

55. Mfcd00693581

56. Mmv665810

57. Nsc766768

58. Stk379516

59. Akos005449571

60. 3,3'-di-2-imidazolin-2-ylcarbanilid

61. Db11521

62. Ks-5199

63. Ksc-19-203

64. Nsc-766768

65. Ncgc00174046-01

66. Db-014824

67. (s)-3-amino-3-(2-naphthyl)-propionicacid

68. Ft-0601768

69. D08069

70. 885i923

71. A819229

72. Q908851

73. 1,3-bis[3-(2-imidazolin-2-yl)phenyl]urea;propionic Acid

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

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀N₆O
Molecular Weight	348.4 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	348.16985928 g/mol
Monoisotopic Mass	348.16985928 g/mol
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	526
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