| CAS Number | 1609493-96-0 |
| Catalog Number | AG01F93V(AGN-PC-3H49BK) |
| Chemical Name | 2-(4-Pyridyl)-1H-anthra[1,2-d]imidazole-6,11-dione |
| IUPAC Name | 2-pyridin-4-yl-6a,10a-dihydro-3H-naphtho[3,2-e]benzimidazole-6,11-dione |
| InChI | InChI=1S/C20H13N3O2/c24-18-12-3-1-2-4-13(12)19(25)16-14(18)5-6-15-17(16)23-20(22-15)11-7-9-21-10-8-11/h1-10,12-13H,(H,22,23) |
| InChI Key | KSFIWHOAKHULIV-UHFFFAOYSA-N |
| Molecular Formula | C20H13N3O2 |
| Molecular Weight | 327.3361 |
| SMILES | O=C1C2C=CC=CC2C(=O)c2c1c1nc([nH]c1cc2)c1ccncc1 |
| Synonyms | 1609493-96-0,
AKOS027440187,
2-(4-Pyridyl)-1H-anthra[1,2-d]imidazole-6,11-dione,
|
| Complexity | 637 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.343g/mol |
| Monoisotopic Mass | 327.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number