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188299-90-3

188299-90-3 | 2,5'-Bi-1H-benzimidazole, 4',7'-dimethoxy-2'-(methoxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-

CAS No: 188299-90-3 Catalog No: AG002GSP MDL No:

Product Description

Catalog Number:
AG002GSP
Chemical Name:
2,5'-Bi-1H-benzimidazole, 4',7'-dimethoxy-2'-(methoxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
188299-90-3
Molecular Formula:
C24H30N6O3
Molecular Weight:
450.5334
IUPAC Name:
4,7-dimethoxy-2-(methoxymethyl)-1-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzimidazole
InChI:
InChI=1S/C24H30N6O3/c1-28-8-10-30(11-9-28)15-6-7-17-18(12-15)26-24(25-17)16-13-19(32-4)22-21(23(16)33-5)27-20(14-31-3)29(22)2/h6-7,12-13H,8-11,14H2,1-5H3,(H,25,26)
InChI Key:
SSPYDYIAXPZJEE-UHFFFAOYSA-N
SMILES:
COCc1nc2c(n1C)c(OC)cc(c2OC)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C

Properties

Complexity:
650  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.238g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
450.543g/mol
Monoisotopic Mass:
450.238g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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