sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-Bromo-1H-benzimidazole

2-Bromo-1H-benzimidazole

CAS No.:
54624-57-6
Catalog Number:
AG003GRK
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$94
- +
10g
95%
In Stock USA
United States
$157
- +
25g
95%
In Stock USA
United States
$382
- +
100g
95%
In Stock USA
United States
$1038
- +
Product Description
Catalog Number:
AG003GRK
Chemical Name:
2-Bromo-1H-benzimidazole
CAS Number:
54624-57-6
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD00160009
IUPAC Name:
2-bromo-1H-benzimidazole
InChI:
InChI=1S/C7H5BrN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChI Key:
PHPYXVIHDRDPDI-UHFFFAOYSA-N
SMILES:
Brc1nc2c([nH]1)cccc2
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.035g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1). PloS one 20120101
Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. Journal of medicinal chemistry 20100624
In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study. Journal of chemical information and modeling 20070101
Properties