Hoechst 33342 analog
N,N-bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline
Also Known As: Hoechst 33342 analog|Hoechst 33342 analog?|CS-1315|NCI60_026636|N,N-bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline|W-5286|N,N-Bis(2-chloroethyl)-4-(3-(6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)propyl)aniline|N,N-bis(2-chloroethyl)-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}propyl)aniline|N,N-Bis(2-chloroethyl)-4-[3-[5-(4-methyl-1-piperazinyl)-2,5 -bi[1H-benzimidazol]-2 -yl]propyl]aniline|N,N-Bis(2-chloroethyl)-4-[3-[6-(4-methyl-1-piperazinyl)-2,6 -bi[1H-benzimidazol]-2 -yl]propyl]aniline|N,N-Bis(2-chloroethyl)-4-{3-[6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bi-1,3-benzimidazol]-2'-yl]propyl}aniline
| Molecular Formula | C32H37Cl2N7 |
|---|---|
| Molecular Weight | 589.2488 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 589.2488 |
| Monoisotopic Mass | 589.2488 |
| Heavy Atoms | 41 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 178481-68-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)CCCC6=CC=C(C=C6)N(CCCl)CCCl |
| InChIKey | PZEAMYHHAKUANN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hoechst 33342 analog (CAS 178481-68-0), with molecular formula C32H37Cl2N7 and molecular weight 589.2488 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline.