Basic information
- Standard SMILES
COc1cccc(-c2ccc3[nH]c(N4CCC5(CC4)OC(=O)c4ccccc45)nc3c2)c1- InChIKey
XWRFKJZEHFYGIP-UHFFFAOYSA-N- Molecular formula
- C26H23N3O3
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.1739416
Names & identifiers
- Preferred name
- 1'-(5-(3-methoxyphenyl)-1H-benzimidazol-2-yl)-spiro[isobenzofuran-1,4'-piperidin]-3-one
- IUPAC
- 1'-[6-(3-methoxyphenyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
Names & synonyms
SCHEMBL5786185XWRFKJZEHFYGIP-UHFFFAOYSA-N1'-(5-(3-methoxyphenyl)-1H-benzimidazol-2-yl)-spiro[isobenzofuran-1,4'-piperidin]-3-one
Database identifiers
- PubChem CID
- 10202638
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 694
Related reactions
3 records
Compound notes
Loading…