| CAS Number | 158013-41-3 |
| Catalog Number | AG00ABL3(AGN-PC-0O4IC4) |
| Chemical Name | 2,5'-Bi-1H-benzimidazole, 2'-(2-iodophenyl)-5-(4-methyl-1-piperazinyl)- |
| IUPAC Name | 2-(2-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)17-7-9-21-23(15-17)29-24(27-21)16-6-8-20-22(14-16)30-25(28-20)18-4-2-3-5-19(18)26/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30) |
| InChI Key | UOHARKYRPCGBEI-UHFFFAOYSA-N |
| MDL Number | MFCD25976771 |
| Molecular Formula | C25H23IN6 |
| Molecular Weight | 534.3948 |
| SMILES | C1(C2C=C3NC(C4=CC=CC=C4I)=NC3=CC=2)NC2=CC(N3CCN(C)CC3)=CC=C2N=1 |
| Synonyms | ortho-iodoHoechst 33258,
158013-41-3,
SCHEMBL340458,
AKOS030526595,
ZINC113618924,
CS-1314,
HY-15626,
W-6105,
2,5'-Bi-1H-benzimidazole, 2'-(2-iodophenyl)-5-(4-methyl-1-piperazinyl)-,
Orthoiodohoechst,
Iodohoechst 33258,
UOHARKYRPCGBEI-UHFFFAOYSA-N,
CID10324821,
A3687,
A15199,
2-[2-(2-iodophenyl)-3H-benzoimidazol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzoimidazole,
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| Complexity | 642 |
| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number