Coumarin 525
5-(1H-benzimidazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Also Known As: Coumarin 525|J2.314.539A|10-(1H-benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one|10-(1H-Benzimidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one|10-(1H-benzimidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one|10-(1H-Benzoimidazole-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-11-one|5-(1H-1,3-BENZODIAZOL-2-YL)-3-OXA-13-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1,5,7,9(17)-TETRAEN-4-ONE|5-(1H-1,3-benzodiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
| Molecular Formula | C22H19N3O2 |
|---|---|
| Molecular Weight | 357.14774 g/mol |
| LogP | 4.0351 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.14774 |
| Monoisotopic Mass | 357.14774 |
| Heavy Atoms | 27 |
| Complexity | 1233.0142 |
Chemical Identifiers
| CAS Number | 87331-47-3 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6N5)CCCN3C1 |
Product Overview
Coumarin 525 (CAS 87331-47-3), with molecular formula C22H19N3O2 and molecular weight 357.14774 g/mol. IUPAC: 5-(1H-benzimidazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.