2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-
Basic information
- CAS
100447-44-7- Standard SMILES
O=c1[nH]c2ccccc2n1C1CCN(CCCS(=O)(=O)c2ccccc2)CC1- InChIKey
MCDSSYMWAOLDCH-UHFFFAOYSA-N- Molecular formula
- C21H25N3O3S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.16166284
Names & identifiers
- Preferred name
- 2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-
- IUPAC
- 3-[1-[3-(benzenesulfonyl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Names & synonyms
2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-100447-44-71-1-(3-Phenylsulfonylpropyl)-4-piperidyl-2-benzimidazolinoneDTXSID20143286RefChem:256305DTXCID0065777NSC167873NSC-1678731-{1-[3-(Benzenesulfonyl)propyl]piperidin-4-yl}-1,3-dihydro-2H-1,3-benzimidazol-2-one
Database identifiers
- CAS
100447-44-7- PubChem CID
- 424755
- DTXSID
DTXSID20143286- Nikkaji
- J69.252B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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