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Chemistry

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Also known as: Bt-11, 1912399-75-7, A4y49h6yy8, Chembl4788758, Piperazine-1,4-diylbis((6-(1h-benzo[d]imidazol-2-yl)pyridin-2-yl)methanone), [4-[6-(1h-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1h-benzimidazol-2-yl)pyridin-2-yl]methanone

Molecular Formula

C₃₀H₂₄N₈O₂

Molecular Weight

528.6 g/mol

InChI Key

MVHWZNBAQIGPOQ-UHFFFAOYSA-N

FDA UNII

A4Y49H6YY8

1 2D Structure

Omilancor

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]methanone

2.1.2 InChI

InChI=1S/C30H24N8O2/c39-29(25-13-5-11-23(31-25)27-33-19-7-1-2-8-20(19)34-27)37-15-17-38(18-16-37)30(40)26-14-6-12-24(32-26)28-35-21-9-3-4-10-22(21)36-28/h1-14H,15-18H2,(H,33,34)(H,35,36)

2.1.3 InChI Key

MVHWZNBAQIGPOQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1C(=O)C2=CC=CC(=N2)C3=NC4=CC=CC=C4N3)C(=O)C5=CC=CC(=N5)C6=NC7=CC=CC=C7N6

2.2 Other Identifiers

2.2.1 UNII

A4Y49H6YY8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Bt-11

2. 1912399-75-7

3. A4y49h6yy8

4. Chembl4788758

5. Piperazine-1,4-diylbis((6-(1h-benzo[d]imidazol-2-yl)pyridin-2-yl)methanone)

6. [4-[6-(1h-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1h-benzimidazol-2-yl)pyridin-2-yl]methanone

7. Omilancor

8. Omilancor [inn]

9. Unii-a4y49h6yy8

10. Bt11

11. Schembl17706588

12. Gtpl10363

13. Bcp32788

14. Bt 11; Bt11

15. Example 1 [us9556146b2]

16. Bdbm50558735

17. S6419

18. Akos037515592

19. Cs-7521

20. Sb18706

21. Hy-102013

22. J3.612.231e

2.4 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₂₄N₈O₂
Molecular Weight	528.6 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	124
Heavy Atom Count	40
Formal Charge	0
Complexity	840
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