200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 188299-92-5
188299-92-5 | [2,5'-Bi-1H-benzimidazole]-4',7'-dione, 6'-hydroxy-2'-(hydroxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS No: 188299-92-5 Catalog No: AG002GSN MDL No:
Product Description
Catalog Number:
AG002GSN
Chemical Name:
[2,5'-Bi-1H-benzimidazole]-4',7'-dione, 6'-hydroxy-2'-(hydroxymethyl)-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
188299-92-5
Molecular Formula:
C21H22N6O4
Molecular Weight:
422.4372
IUPAC Name:
7-hydroxy-2-(hydroxymethyl)-3-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzimidazole-4,5-dione
InChI:
InChI=1S/C21H22N6O4/c1-25-5-7-27(8-6-25)11-3-4-12-13(9-11)23-21(22-12)15-18(29)16-17(20(31)19(15)30)26(2)14(10-28)24-16/h3-4,9,28-29H,5-8,10H2,1-2H3,(H,22,23)
InChI Key:
DWBXBKFOGHZZJB-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1C)C(=O)C(=C(C2=O)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C)O
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.17g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.445g/mol
Monoisotopic Mass:
422.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.