Basic information
- Standard SMILES
O=C(O)c1ccc2nc3n(c2c1)CCCNC3=O- InChIKey
IUHQLJFDLUVRCJ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
Names & identifiers
- Preferred name
- 1-Oxo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]benzimidazole-8-carboxylic acid
- IUPAC
- 1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazole-8-carboxylic acid
Names & synonyms
SCHEMBL1982055IUHQLJFDLUVRCJ-UHFFFAOYSA-N1-Oxo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]benzimidazole-8-carboxylic acid
Database identifiers
- PubChem CID
- 67236476
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Related reactions
5 records
Compound notes
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