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16865-25-1

16865-25-1 | 1H-Benzimidazole, 2,4,5,6,7-pentabromo-

CAS No: 16865-25-1 Catalog No: AG001Y7N MDL No:

Product Description

Catalog Number:
AG001Y7N
Chemical Name:
1H-Benzimidazole, 2,4,5,6,7-pentabromo-
CAS Number:
16865-25-1
Molecular Formula:
C7HBr5N2
Molecular Weight:
512.6162
IUPAC Name:
2,4,5,6,7-pentabromo-1H-benzimidazole
InChI:
InChI=1S/C7HBr5N2/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h(H,13,14)
InChI Key:
RKIBZFOZIJTIJU-UHFFFAOYSA-N
SMILES:
Brc1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.602g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
512.619g/mol
Monoisotopic Mass:
507.606g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

Literature

Title Journal
Tetraiodobenzimidazoles are potent inhibitors of protein kinase CK2. Bioorganic & medicinal chemistry 20091015
Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole. Journal of medicinal chemistry 20041202

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