Basic information
- CAS
85076-06-8- Standard SMILES
O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2COc3ccccc3O2)CC1- InChIKey
WFJWTVCUKPPEOR-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O3
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1349693
Names & identifiers
- Preferred name
- Axamozide
- IUPAC
- 6-chloro-3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
- English name
- Axamozide
- Molecular formula
- C21H22ClN3O3
- Molecular weight
- 399.87
Names & synonyms
Axamozide85076-06-8Axamozide [INN]AxamozidumaxamozidaUNII-MCG9O55T6KMCG9O55T6K(+-)-1-(1-(1,4-benzodioxan-2-ylmethyl)-4-piperidyl)-5-chloro-2-benzimidazolinone(+-)-1-(1-(1,4-benzodioxan-2-ylmethyl)-4-piperidyl)-5-chlor-2-benzimidazolinonRefChem:1158246-chloro-3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-oneCHEMBL436052
Show more names
2H-Benzimidazol-2-one, 5-chloro-1-[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-piperidinyl]-1,3-dihydro-
5-Chloro-1-(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-ol5-chloro-1-[1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidin-4-yl]-1h-benzimidazol-2-olorb1698255SCHEMBL11022863DTXSID10868855BDBM50019717AKOS040750654NS00126284
Database identifiers
- CAS
85076-06-8- PubChem CID
- 170359
- DTXSID
DTXSID10868855- ChEMBL
CHEMBL436052
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- FDA UNII
- 9 O55T6K · MCG9O55T6K
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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