CAS 2147-83-3

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Also known as: 2147-83-3, 3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazol-2-one, 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazol-2-one, Mls000737175, 1-(1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone, 1-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one

Molecular Formula

C₁₂H₁₃N₃O

Molecular Weight

215.25 g/mol

InChI Key

YFEOSTXFQCDCAR-UHFFFAOYSA-N

1 2D Structure

CAS 2147-83-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one

2.1.2 InChI

InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16)

2.1.3 InChI Key

YFEOSTXFQCDCAR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC=C1N2C3=CC=CC=C3NC2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2147-83-3

2. 3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazol-2-one

3. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazol-2-one

4. Mls000737175

5. 1-(1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone

6. 1-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2h-benzimidazol-2-one

7. 1-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzo[d]imidazol-2(3h)-one

8. 1-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

9. Smr000528403

10. Nsc88883

11. Benzoimidazol-2-one

12. Mls001359872

13. Schembl2895027

14. Chembl1560353

15. Dtxsid10175753

16. Hms2858b19

17. Zinc394330

18. Bcp26441

19. Einecs 218-415-2

20. Mfcd00044827

21. Nsc 88883

22. Nsc-88883

23. Akos015855694

24. Gf-0125

25. Ncgc00246897-01

26. Db-005634

27. Cs-0188237

28. Ft-0634066

29. T3085

30. T72079

31. 147d833

32. A815408

33. 1-(1,2,3,6-tetrahydro-pyridin-4-yl)-1,3-dihydro-

34. 1-(1,2,3,6-tetrahydropyridine-4-yl)-1h-benzoimidazole-2(3h)-one

35. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazole2-one

36. 13-dihydro-1-(1236-tetrahydro-4- Pyridinyl)-2h-benzimidazole-2-one

37. 1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2h-benzimidazole-2-one, Aldrichcpr

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃N₃O
Molecular Weight	215.25 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	215.105862047 g/mol
Monoisotopic Mass	215.105862047 g/mol
Topological Polar Surface Area	44.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	326
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