2-(1-Oxo-2,3-dihydropyrrolo[1,2-a]benzimidazol-3-yl)isoindole-1,3-dione
Basic information
- CAS
84227-45-2- Standard SMILES
O=C1c2ccccc2C(=O)N1C1CC(=O)n2c1nc1ccccc12- InChIKey
CJBOZBGFRUMTIL-UHFFFAOYSA-N- Molecular formula
- C18H11N3O3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.08004122
Names & identifiers
- Preferred name
- 2-(1-Oxo-2,3-dihydropyrrolo[1,2-a]benzimidazol-3-yl)isoindole-1,3-dione
- IUPAC
- 2-(1-oxo-2,3-dihydropyrrolo[1,2-a]benzimidazol-3-yl)isoindole-1,3-dione
Names & synonyms
84227-45-2NSC3660642-(1-oxo-2,3-dihydropyrrolo[1,2-a]benzimidazol-3-yl)isoindole-1,3-dioneDTXSID50320881NSC-3660642-(1-Oxo-2,3-dihydro-1H-pyrrolo[1,2-a][1,3]benzimidazol-3-yl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
84227-45-2- PubChem CID
- 339402
- DTXSID
DTXSID50320881
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 582
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Compound notes
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