2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
Basic information
- CAS
5565-57-1- Standard SMILES
CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1- InChIKey
DLBLZDXRCLOKSG-UHFFFAOYSA-N- Molecular formula
- C15H19N3OS
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.12488341
Names & identifiers
- Preferred name
- 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
Names & synonyms
5565-57-12-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanoneCBMicro_032380Cambridge id 5565571Oprea1_034113Oprea1_659486MLS000106754SCHEMBL1415022CHEMBL1602694DTXSID20970998HMS2459M19AKOS002267027
Show more names
SMR000111130BIM-0032416.P001EU-0068700ST50183479AB00089472-01AG-690/11449088SR-01000404897SR-01000404897-1
Database identifiers
- CAS
5565-57-1- PubChem CID
- 732222
- DTXSID
DTXSID20970998- ChEMBL
CHEMBL1602694
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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