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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: In-1130, 868612-83-3, In 1130, In1130, Chembl492634, Kw4o83pq97

Molecular Formula

C₂₅H₂₀N₆O

Molecular Weight

420.5 g/mol

InChI Key

RYKSGWSKILPDDY-UHFFFAOYSA-N

FDA UNII

KW4O83PQ97

1 2D Structure

Benzamide, 3-5-6-Methyl-2-Pyridinyl-4-6-Quinoxalinyl-1H-Imidazol-2-Yl-Methyl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[[5-(6-methylpyridin-2-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide

2.1.2 InChI

InChI=1S/C25H20N6O/c1-15-4-2-7-20(29-15)24-23(17-8-9-19-21(14-17)28-11-10-27-19)30-22(31-24)13-16-5-3-6-18(12-16)25(26)32/h2-12,14H,13H2,1H3,(H2,26,32)(H,30,31)

2.1.3 InChI Key

RYKSGWSKILPDDY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=CC=C1)C2=C(N=C(N2)CC3=CC(=CC=C3)C(=O)N)C4=CC5=NC=CN=C5C=C4

2.2 Other Identifiers

2.2.1 UNII

KW4O83PQ97

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl)methyl)benzamide

2. In 1130

3. In-1130

4. In1130

2.3.2 Depositor-Supplied Synonyms

1. In-1130

2. 868612-83-3

3. In 1130

4. In1130

5. Chembl492634

6. Kw4o83pq97

7. Benzamide, 3-((5-(6-methyl-2-pyridinyl)-4-(6-quinoxalinyl)-1h-imidazol-2-yl)methyl)-

8. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl) Methyl)benzamide

9. 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1h-imidazol-2-yl)methyl)benzamide

10. Unii-kw4o83pq97

11. Schembl139815

12. Schembl22170124

13. Bdbm50252542

14. Zinc13985930

15. Akos032962854

16. Ncgc00386726-01

17. Ncgc00386726-02

18. Hy-18758

19. Cs-0014265

20. E98928

21. Q27282469

22. 3-[[5-(6-methyl-2-pyridinyl)-4-(6-quinoxalinyl)-1h-imidazol-2-yl]methyl]benzamide

23. 3-[[5-(6-methylpyridin-2-yl)-4-quinoxalin-6-yl-1h-imidazol-2-yl]methyl]benzamide

24. 940003-47-4

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₀N₆O
Molecular Weight	420.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	420.16985928 g/mol
Monoisotopic Mass	420.16985928 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	646
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