4b,5-Dihydro-11H-isoindolo[2,1-a]benzimidazol-11-one
Basic information
- CAS
937669-22-2- Standard SMILES
O=C1c2ccccc2C2Nc3ccccc3N12- InChIKey
XDNIPQUZYJAAMI-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Names & identifiers
- Preferred name
- 4b,5-Dihydro-11H-isoindolo[2,1-a]benzimidazol-11-one
- IUPAC
- 4b,5-dihydroisoindolo[2,3-a]benzimidazol-11-one
Names & synonyms
4b,5-dihydro-11h-isoindolo[2,1-a]benzimidazol-11-one937669-22-24b,5-Dihydro-11H-isoindolo(2,1-a)benzimidazol-11-oneRefChem:296727DTXSID001220219AKOS002669802
Database identifiers
- CAS
937669-22-2- PubChem CID
- 16680609
- DTXSID
DTXSID001220219- Nikkaji
- J2.482.667H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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