Basic information
- CAS
115398-82-8- Standard SMILES
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccccc2n1CN1CCCCC1- InChIKey
KXMUJJJHSNTTDC-UHFFFAOYSA-N- Molecular formula
- C22H21N5O4
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.15935417
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 5-nitro-2-((1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)methyl)-
- IUPAC
- 5-nitro-2-[[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione
Names & synonyms
1H-Isoindole-1,3(2H)-dione, 5-nitro-2-((1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)methyl)-5-Nitro-2-((1-(1-piperidinylmethyl)-1H-benzimidazol-2-yl)methyl)-1H-isoindole-1,3(2H)-dione115398-82-8DTXSID90151075RefChem:239364DTXCID20735665-Nitro-2-({1-[(piperidin-1-yl)methyl]-1H-1,3-benzimidazol-2-yl}methyl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
115398-82-8- PubChem CID
- 3087643
- DTXSID
DTXSID90151075
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 721
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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