5,7-Dihydro-2H-imidazo[4',5':4,5]benzo[1,2-d]oxazole-2,6(3H)-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
119151-22-3- Standard SMILES
O=c1[nH]c2cc3[nH]c(=O)oc3cc2[nH]1- InChIKey
GLTFKGAZJRVKBQ-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.03309103
Names & identifiers
- Preferred name
- 5,7-Dihydro-2H-imidazo[4',5':4,5]benzo[1,2-d]oxazole-2,6(3H)-dione
- IUPAC
- 5,7-dihydro-3H-imidazo[4,5-f][1,3]benzoxazole-2,6-dione
- English name
- 2H-Imidazo[4,5-f]benzoxazole-2,6(3H)-dione,5,7-dihydro-(6CI)
- Molecular formula
- C8H5N3O3
- Molecular weight
- 191.14
Names & synonyms
119151-22-35,7-Dihydro-2H-imidazo[4',5':4,5]benzo[1,2-d]oxazole-2,6(3H)-dioneGLTFKGAZJRVKBQ-UHFFFAOYSA-NSCHEMBL9678775SCHEMBL9678778SCHEMBL96796215,7-dihydro-3H-imidazo[4,5-f][1,3]benzoxazole-2,6-dione2H-Imidazo[4,5-f]benzoxazole-2,6(3H)-dione,5,7-dihydro-(6CI)DB-2703502,3,5,6-Tetrahydro-7H-imidazo[4,5-f]benzoxazol-2,6-dione2H-IMIDAZO[4,5-F]BENZOXAZOLE-2,6(3H)-DIONE, 5,7-DIHYDRO-
Database identifiers
- CAS
119151-22-3- PubChem CID
- 20042448
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 11.51 · 11.51±0.20(Predicted)
Related reactions
1 records
Compound notes
Loading…