Basic information
- CAS
86636-93-3- Standard SMILES
O=c1[nH]c2ccccc2n1C1CCN(CCCc2noc3cc(F)ccc23)CC1- InChIKey
VEUGOXRZHKYDED-UHFFFAOYSA-N- Molecular formula
- C22H23FN4O2
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.18050415
Overview
Neflumozide is a small molecule drug. Neflumozide has a monoisotopic molecular weight of 394.18 Da.
Names & identifiers
- Preferred name
- Neflumozide
- IUPAC
- 3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
- English name
- Neflumozide
- Molecular formula
- C22H23FN4O2
- Molecular weight
- 394.448
Names & synonyms
NEFLUMOZIDENeflumozide [INN]UNII-P3WHG5IM2WP3WHG5IM2W86636-93-3P-793913NeflumozidaSCHEMBL121285orb2695501CHEMBL2111040SCHEMBL29385566DTXSID801006980
Show more names
3-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-oneNS00010488T201050Q272860891-(1-(3-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PROPYL)-4-PIPERIDYL)-2-BENZIMIDAZOLINONE1-{1-[3-(6-Fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl}-1H-1,3-benzimidazol-2-ol1-{1-[3-(6-Fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-4-yl}-1H-benzimidazol-2-ol2H-BENZIMIDAZOL-2-ONE, 1-(1-(3-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PROPYL)-4-PIPERIDINYL)-1,3-DIHYDRO-
Database identifiers
- CAS
86636-93-3- PubChem CID
- 55463
- DTXSID
DTXSID801006980- ChEMBL
CHEMBL2111040- UNII
- P3WHG5IM2W
- Nikkaji
- J481.454A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- FDA UNII
- 3 WHG5IM2W · P3WHG5IM2W
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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