| CAS Number | 23554-99-6 |
| Catalog Number | AG00BF3L(AGN-PC-0QZRZJ) |
| Chemical Name | HOE-32020 |
| IUPAC Name | 2-(4-chlorophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChI | InChI=1S/C25H23ClN6/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 | QXGLWDFFMBHOFL-UHFFFAOYSA-N |
| MDL Number | MFCD25976773 |
| Molecular Formula | C25H23ClN6 |
| Molecular Weight | 442.9433 |
| SMILES | C1(C2=CC=C3NC(C4=CC=C(Cl)C=C4)=NC3=C2)NC2=CC=C(N3CCN(C)CC3)C=C2N=1 |
| Synonyms | HOE 32020,
23554-99-6,
DTXSID70856157,
HOE-32020,
ZINC205898505,
CS-1317,
HY-15629,
W-6107,
2'-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole,
QXGLWDFFMBHOFL-UHFFFAOYSA-N,
A15103,
|
| Complexity | 634 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.951g/mol |
| Monoisotopic Mass | 442.167g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number