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Home Aminos N-(4-Chloro-3-(5-(dimethylamino)-1h-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide

N-(4-Chloro-3-(5-(dimethylamino)-1h-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide

CAS No.:
496794-70-8
Catalog Number:
AG00DB6A
Molecular Formula:
C24H23ClN4O3
Molecular Weight:
450.9174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$466
- +
10mg
99%
1 week
United States
$773
- +
50mg
99%
1 week
United States
$2626
- +
100mg
99%
1 week
United States
$3823
- +
Product Description
Catalog Number:
AG00DB6A
Chemical Name:
N-(4-Chloro-3-(5-(dimethylamino)-1h-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide
CAS Number:
496794-70-8
Molecular Formula:
C24H23ClN4O3
Molecular Weight:
450.9174
MDL Number:
MFCD25976715
IUPAC Name:
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3,5-dimethoxybenzamide
InChI:
InChI=1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28)
InChI Key:
UBHJFPVTEATUFS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cc(cc2)N(C)C)Cl
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.146g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
450.923g/mol
Monoisotopic Mass:
450.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Design, synthesis, and structure-activity-relationship of phenyl imidazoles as potent Smoothened antagonists. Bioorganic & medicinal chemistry letters 20121101
Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorganic & medicinal chemistry 20100701
Properties