CAS 106050-84-4 | Phenol,2-iodo-4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]- (9CI) | CAS Number 106050-84-4

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106050-84-4 | Phenol,2-iodo-4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]- (9CI)

CAS No: 106050-84-4 Catalog No: AG007E6D MDL No:

Product Description

Catalog Number:

AG007E6D

Chemical Name:

Phenol,2-iodo-4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]- (9CI)

CAS Number:

106050-84-4

Molecular Formula:

C25H23IN6O

Molecular Weight:

550.3942

IUPAC Name:

2-iodo-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol

InChI:

InChI=1S/C25H23IN6O/c1-31-8-10-32(11-9-31)17-4-6-20-22(14-17)30-25(28-20)16-2-5-19-21(13-16)29-24(27-19)15-3-7-23(33)18(26)12-15/h2-7,12-14,33H,8-11H2,1H3,(H,27,29)(H,28,30)

InChI Key:

ZGUNSONXLSTYPT-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(c(c1)I)O

Properties

Complexity:

677

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

550.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

550.404g/mol

Monoisotopic Mass:

550.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Plasmid breakage by (125)I-labelled DNA ligands: effect of DNA-iodine atom distance on breakage efficiency.	International journal of radiation biology 20081201
DNA breakage by decay of Auger electron emitters: experiments with 123I-iodoHoechst 33258 and plasmid DNA.	Radiation research 20051201
Plasmid DNA breakage by decay of DNA-associated auger emitters: experiments with 123I/125I-iodoHoechst 33258.	International journal of radiation biology 20040101