CAS 188860-26-6 | 2,5'-Bi-1H-benzimidazole, 2'-(3,4-dimethoxyphenyl)-5-(4-methyl-1-piperazinyl)- | CAS Number 188860-26-6

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188860-26-6 | 2,5'-Bi-1H-benzimidazole, 2'-(3,4-dimethoxyphenyl)-5-(4-methyl-1-piperazinyl)-

CAS No: 188860-26-6 Catalog No: AG002HFL MDL No:

Product Description

Catalog Number:

AG002HFL

Chemical Name:

2,5'-Bi-1H-benzimidazole, 2'-(3,4-dimethoxyphenyl)-5-(4-methyl-1-piperazinyl)-

CAS Number:

188860-26-6

Molecular Formula:

C27H28N6O2

Molecular Weight:

468.5502

IUPAC Name:

2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

InChI:

InChI=1S/C27H28N6O2/c1-32-10-12-33(13-11-32)19-6-8-21-23(16-19)31-26(29-21)17-4-7-20-22(14-17)30-27(28-20)18-5-9-24(34-2)25(15-18)35-3/h4-9,14-16H,10-13H2,1-3H3,(H,28,30)(H,29,31)

InChI Key:

BMRRDFCQNOZNNR-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C

Properties

Complexity:

705

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

468.227g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

468.561g/mol

Monoisotopic Mass:

468.227g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Synthesis and biological activity of novel inhibitors of topoisomerase I: 2-aryl-substituted 2-bis-1H-benzimidazoles.	European journal of medicinal chemistry 20110201
Old class but new dimethoxy analogue of benzimidazole: a bacterial topoisomerase I inhibitor.	International journal of antimicrobial agents 20100201
Minor groove binding DNA ligands with expanded A/T sequence length recognition, selective binding to bent DNA regions and enhanced fluorescent properties.	Biochemistry 20031118
Influence of phenyl ring disubstitution on bisbenzimidazole and terbenzimidazole cytotoxicity: synthesis and biological evaluation as radioprotectors.	Journal of medicinal chemistry 20030828