| CAS Number | 23623-06-5 |
| Catalog Number | AG00BF3M(AGN-PC-0QZT78) |
| Chemical Name | HOE-32021 |
| IUPAC Name | 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChI | InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)19-6-10-22-24(16-19)30-26(28-22)18-5-9-21-23(15-18)29-25(27-21)17-3-7-20(33-2)8-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30) |
| InChI Key | ZEEIKPHYGCYRRH-UHFFFAOYSA-N |
| MDL Number | MFCD25976732 |
| Molecular Formula | C26H26N6O |
| Molecular Weight | 438.5242 |
| SMILES | C1(C2C=C3NC(C4=CC=C(OC)C=C4)=NC3=CC=2)NC2=CC(N3CCN(C)CC3)=CC=C2N=1 |
| Synonyms | HOE 32021,
23623-06-5,
CHEMBL316907,
SCHEMBL14669391,
SCHEMBL18007159,
DTXSID30435169,
HOE-32021,
ZINC26734701,
AKOS030526747,
CS-1307,
HY-15562,
W-6097,
6-(4-Methylpiperazino)-2'-(4-methoxyphenyl)-2,6'-bi(1H-benzimidazole),
CID10071840,
A15104,
2-[2-(4-methoxyphenyl)-3H-benzoimidazol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzoimidazole,
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| Complexity | 649 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.535g/mol |
| Monoisotopic Mass | 438.217g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.1A^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-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