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Home > Imidazoles > 188299-95-8
188299-95-8 | [2,5'-Bi-1H-benzimidazole]-4',7'-diol, 2'-(hydroxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS No: 188299-95-8 Catalog No: AG002GSK MDL No:
Product Description
Catalog Number:
AG002GSK
Chemical Name:
[2,5'-Bi-1H-benzimidazole]-4',7'-diol, 2'-(hydroxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
188299-95-8
Molecular Formula:
C21H24N6O3
Molecular Weight:
408.4537
IUPAC Name:
2-(hydroxymethyl)-1-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzimidazole-4,7-diol
InChI:
InChI=1S/C21H24N6O3/c1-25-5-7-27(8-6-25)12-3-4-14-15(9-12)23-21(22-14)13-10-16(29)19-18(20(13)30)24-17(11-28)26(19)2/h3-4,9-10,28-30H,5-8,11H2,1-2H3,(H,22,23)
InChI Key:
GKWBIYRIGSVWNB-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1C)c(O)cc(c2O)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.191g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.462g/mol
Monoisotopic Mass:
408.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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