Basic information
- CAS
10253-03-9- Standard SMILES
O=C1C=CC(=O)c2c1nc1n2CCC1- InChIKey
DRGWVHQFIOTRTB-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
- IUPAC
- 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
- English name
- 1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione,2,3-dihydro-(7CI,8CI,9CI)
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
10253-03-9SCHEMBL97665252,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione,2,3-dihydro-(7CI,8CI,9CI)1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 2,3-dihydro-
Database identifiers
- CAS
10253-03-9- PubChem CID
- 21814900
- Nikkaji
- J3.680.318E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 144.5 · 144.5-145.0 °C
- Boiling point
- 463.9 · 463.9±45.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- -0.17 · -0.17±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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