| CAS Number | 158013-43-5 |
| Catalog Number | AG00ABL8(AGN-PC-0Q7E5Q) |
| Chemical Name | 2,6'-Bi-1H-benzimidazole,2'-(4-iodophenyl)-6-(4-methyl-1-piperazinyl)- |
| IUPAC Name | 2-(4-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChI | InChI=1S/C25H23IN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30) |
| InChI Key | WSBVZEKIZWIJQO-UHFFFAOYSA-N |
| MDL Number | MFCD25976776 |
| Molecular Formula | C25H23IN6 |
| Molecular Weight | 534.3948 |
| SMILES | IC1=CC=C(C=C1)C=1NC2=C(N1)C=CC(=C2)C2=NC1=C(N2)C=C(C=C1)N1CCN(CC1)C |
| Synonyms | para-iodoHoechst 33258,
158013-43-5,
SCHEMBL340370,
AKOS030526597,
ZINC113618708,
CS-1320,
HY-15632,
W-6110,
2,6'-Bi-1H-benzimidazole,2'-(4-iodophenyl)-6-(4-methyl-1-piperazinyl)-,
2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole,
Paraiodohoechst,
P-Iodo Hoechst,
Iodohoechst 33258,
CID10437137,
A15206,
2-[2-(4-iodophenyl)-3H-benzoimidazol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzoimidazole,
|
| Complexity | 634 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 534.405g/mol |
| Monoisotopic Mass | 534.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number