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Chemistry

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Also known as: Fk-614, 193012-35-0, Fk614, Atx08-001, V5q32bzx79, 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxamide
Molecular Formula
C21H23Cl2N3O3S
Molecular Weight
468.4  g/mol
InChI Key
UYGZODVVDUIDDQ-UHFFFAOYSA-N
FDA UNII
V5Q32BZX79

Fk 614
FK614 has been used in trials studying the treatment of Diabetes Mellitus.
1 2D Structure

Fk 614

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
2.1.2 InChI
InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)
2.1.3 InChI Key
UYGZODVVDUIDDQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C
2.2 Other Identifiers
2.2.1 UNII
V5Q32BZX79
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide

2. Fk614 Cpd

2.3.2 Depositor-Supplied Synonyms

1. Fk-614

2. 193012-35-0

3. Fk614

4. Atx08-001

5. V5q32bzx79

6. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxamide

7. Unii-v5q32bzx79

8. Fk 614

9. Schembl682052

10. Chembl3545278

11. Dtxsid60940978

12. Bdbm50469398

13. Db12557

14. Sb16865

15. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3 H-benzimidazole-5-carboxamide

16. 1-[(2,4-dichlorophenyl)methyl]-2-methyl-n-(pentane-1-sulfonyl)-1h-benzimidazole-6-carboximidic Acid

17. Hy-101292

18. Cs-0021092

19. A857643

20. Q27291562

21. 1-(2,4-dichlorobenzyl)-2-methyl-6-(1-pentanesulfonylcarbamoyl)benzimidazole

22. 3-(2,4-dichlorobenzyl)-2-methyl-n-(pentylsulfonyl)-3h-benzimidazole-5-carboxami-de

23. 3-[(2,4-dichlorophenyl)methyl]-2-methyl-n-pentylsulfonylbenzimidazole-5-carboxamide

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 468.4 g/mol
Molecular Formula C21H23Cl2N3O3S
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass467.0837182 g/mol
Monoisotopic Mass467.0837182 g/mol
Topological Polar Surface Area89.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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