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Hoe 33187

CAS No.:
23623-08-7
Catalog Number:
AG00BF3N
Molecular Formula:
C25H24N6
Molecular Weight:
408.4983
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Product Description
Catalog Number:
AG00BF3N
Chemical Name:
Hoe 33187
CAS Number:
23623-08-7
Molecular Formula:
C25H24N6
Molecular Weight:
408.4983
MDL Number:
MFCD25976733
IUPAC Name:
6-(4-methylpiperazin-1-yl)-2-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole
InChI:
InChI=1S/C25H24N6/c1-30-11-13-31(14-12-30)19-8-10-21-23(16-19)29-25(27-21)18-7-9-20-22(15-18)28-24(26-20)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,27,29)
InChI Key:
SOUKAPYFWOYMNH-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)c1ccc2c(c1)[nH]c(n2)c1ccccc1
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.206g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
408.509g/mol
Monoisotopic Mass:
408.206g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties