Basic information
- CAS
248-72-6- Standard SMILES
c1ccc2c(c1)Cn1c-2nc2ccccc21- InChIKey
KXALWURUWCCXLJ-UHFFFAOYSA-N- Molecular formula
- C14H10N2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.08439833
Names & identifiers
- Preferred name
- 11H-isoindolo[2,1-a]benzimidazole
- IUPAC
- 11H-isoindolo[2,1-a]benzimidazole
Names & synonyms
11H-isoindolo[2,1-a]benzimidazole248-72-611H-benzo[4,5]imidazo[2,1-a]isoindoleF0013-0808HMS641F19ChemDiv1_019137MLS000078895SCHEMBL5801394CHEMBL1495025isoindolino[2,1-a]benzimidazoleDTXSID20329841HMS2337C06
Show more names
SMSSF-0040073STK967762AKOS002161923NCI60_001240SMR000034095EU-0034203ST5003677411H-ISOINDOLO[2,1-A][1,3]BENZIMIDAZOLE
Database identifiers
- CAS
248-72-6- PubChem CID
- 424338
- DTXSID
DTXSID20329841- ChEMBL
CHEMBL1495025- Nikkaji
- J2.315.449H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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