| CAS Number | 132869-83-1 |
| Catalog Number | AG009CCC(AGN-PC-0O12SP) |
| Chemical Name | Meta-Hoechst |
| IUPAC Name | 3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol |
| InChI | InChI=1S/C25H24N6O/c1-30-9-11-31(12-10-30)18-6-8-21-23(15-18)29-25(27-21)17-5-7-20-22(14-17)28-24(26-20)16-3-2-4-19(32)13-16/h2-8,13-15,32H,9-12H2,1H3,(H,26,28)(H,27,29) |
| InChI Key | WOFDIDGQAOQHGY-UHFFFAOYSA-N |
| MDL Number | MFCD25976731 |
| Molecular Formula | C25H24N6O |
| Molecular Weight | 424.4977 |
| SMILES | CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)c1ccc2c(c1)[nH]c(n2)c1cccc(c1)O |
| Synonyms | HOE-S 785026,
meta-Hoechst,
132869-83-1,
CHEMBL82584,
SCHEMBL12101904,
ZINC26503609,
3-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol,
CS-1305,
HY-15561,
W-6096,
3-[5-(4-Methyl-1-piperazinyl)-2,5'-bi[1H-benzimidazol]-2'-yl]phenol,
Phenol, 3-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)-,
C25-H24-N6-O,
CID10410101,
A15116,
3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzoimidazol-2-yl]-1H-benzoimidazol-2-yl]phenol,
|
| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.508g/mol |
| Monoisotopic Mass | 424.201g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number