| CAS Number | 23623-08-7 |
| Catalog Number | AG00BF3N(AGN-PC-0O8494) |
| Chemical Name | HOE-33187 |
| IUPAC Name | 6-(4-methylpiperazin-1-yl)-2-(2-phenyl-3H-benzimidazol-5-yl)-1H-benzimidazole |
| InChI | InChI=1S/C25H24N6/c1-30-11-13-31(14-12-30)19-8-10-21-23(16-19)29-25(27-21)18-7-9-20-22(15-18)28-24(26-20)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,27,29) |
| InChI Key | SOUKAPYFWOYMNH-UHFFFAOYSA-N |
| MDL Number | MFCD25976733 |
| Molecular Formula | C25H24N6 |
| Molecular Weight | 408.4983 |
| SMILES | CN1CCN(C2=CC=C3N=C(C4=CC=C5N=C(C6=CC=CC=C6)NC5=C4)NC3=C2)CC1 |
| Synonyms | HOE 33187,
23623-08-7,
CHEMBL176701,
SCHEMBL8769012,
SCHEMBL20768152,
DTXSID10658637,
HOE-33187,
ZINC13652034,
CS-1308,
HY-15563,
W-6098,
2'-Phenyl-5-(4-methylpiperazin-1-yl)-2,6'-bi[1H-benzimidazole],
6-(4-Methylpiperazin-1-yl)-2'-phenyl-1H,3'H-2,5'-bibenzimidazole,
SOUKAPYFWOYMNH-UHFFFAOYSA-N,
A15105,
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| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.509g/mol |
| Monoisotopic Mass | 408.206g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number