Basic information
- CAS
53786-06-4- Standard SMILES
O=c1[nH]c2ccccc2n1C1CCN(CC(O)C2COc3ccccc3O2)CC1- InChIKey
ZBPOBVZNVTZLGP-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.18450629
Names & identifiers
- Preferred name
- 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
- IUPAC
- 3-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
- English name
- 1-[1-[2-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-2-hydroxy-ethyl]-4-piperidyl]-3H-benzoimidazol-2-one
- Molecular formula
- C22H25N3O4
- Molecular weight
- 395.45
Names & synonyms
53786-06-4SCHEMBL11253307DTXSID40875375NSC297937NSC-297937DB-238182R289351-[1-[2-(7,10-DIOXABICYCLO[4.4.0]DECA-1,3,5-TRIEN-9-YL)-2-HYDROXY-ETHYL]-4-PIPERIDYL]-3H-BENZOIMIDAZOL-2-ONE1-{1-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl]piperidin-4-yl}-1H-1,3-benzimidazol-2-ol2H-Benzimidazol-2-one, 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-hydroxyethyl]-4-piperidinyl]-1,3-dihydro-
Database identifiers
- CAS
53786-06-4、55806-43-4- PubChem CID
- 326488
- DTXSID
DTXSID40875375
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Experimental & physicochemical properties
LogP3.43
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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