1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one
Basic information
- CAS
16148-06-4- Standard SMILES
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1- InChIKey
WMPRRSYNQDCNCE-UHFFFAOYSA-N- Molecular formula
- C19H21N3O
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.1684623
Names & identifiers
- Preferred name
- 1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one
- IUPAC
- 3-(1-benzylpiperidin-4-yl)-1H-benzimidazol-2-one
- English name
- 1,3-dihydro-1-[1-benzyl-4-piperidinyl]-2H-benzimidazol-2-one
- Molecular formula
- C19H21N3O
- Molecular weight
- 307.39
Names & synonyms
16148-06-41,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one1,3-Dihydro-1-(1-(phenylmethyl)-4-piperidinyl)-2H-benzimidazol-2-oneRefChem:2185663-(1-benzylpiperidin-4-yl)-1H-benzimidazol-2-oneCHEMBL3006161-(1-Benzylpiperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-NSC78484SCHEMBL3665096WMPRRSYNQDCNCE-UHFFFAOYSA-N1-(1-Benzylpiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
Show more names
Einecs 240-301-6Pimozide Impurity 11-(1-Benzylpiperidine-4-yl)-1H-benzimidazole-2(3H)-one1,3-dihydro-1-[1-benzyl-4-piperidinyl]-2H-benzimidazol-2-one
BDBM50137562NSC-78484CS-0133204NS000539313-(1-benzyl-4-piperidyl)-1H-benzimidazol-2-one1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one1,3-Dihydro-1-[1-(benzyl)piperidin-4-yl]-2H-benzo[d]imidazol-2-one
Database identifiers
- CAS
16148-06-4- PubChem CID
- 416359
- ChEMBL
CHEMBL300616- EC Number
- 240-301-6
- Nikkaji
- J286.827J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 160.8 · 160.8-162 °C
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DCM, Methanol
- form
- Solid
- pka
- 12.04 · 12.04±0.30(Predicted)
- color
- Brown
Chemistry & industry
Applications
Uses1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one is an intermediate in the synthesis of Pimozide (D453300), a D2 dopamine receptor antagonist.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…