Basic information
- CAS
16148-06-4- Standard SMILES
O=c1[nH]c2c(N3CCCCC3)cccc2n1Cc1ccccc1- InChIKey
FZGABLSHORCBNK-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-benzyl-4-piperidinyl)-2H-benzimidazol-2-one
- IUPAC
- 3-benzyl-7-piperidin-1-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
EINECS 240-301-6DTXSID809365351-Benzyl-4-(piperidin-1-yl)-1H-benzimidazol-2-ol1-Benzyl-4-(piperidin-1-yl)-1H-1,3-benzimidazol-2-ol1,3-Dihydro-1-(1-benzyl-4-piperidinyl)-2H-benzimidazol-2-onePimozide Impurity 11-(1-Benzylpiperidine-4-yl)-1H-benzimidazole-2(3H)-one1,3-dihydro-1-[1-benzyl-4-piperidinyl]-2H-benzimidazol-2-one1-(1-Benzylpiperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-
Database identifiers
- CAS
16148-06-4- PubChem CID
- 85302
- DTXSID
DTXSID80936535
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 415
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
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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