Basic information
- Standard SMILES
S=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1- InChIKey
BEWMOLNFHXEXSM-UHFFFAOYSA-N- Molecular formula
- C12H14ClN3S
- Average molar mass
- 267.78 g/mol
- Monoisotopic mass
- 267.05969613
Names & identifiers
- Preferred name
- 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-1H-benzimidazole-2-thione
- IUPAC
- 6-chloro-3-piperidin-4-yl-1H-benzimidazole-2-thione
- English name
- 5-chloro-1,3-dihydro-1-(4-piperidinyl)-1H-benzimidazole-2-thione
- Molecular formula
- C12H14ClN3S
- Molecular weight
- 267.78
Names & synonyms
EINECS 283-384-484604-99-95-Chloro-1,3-dihydro-1-(4-piperidinyl)-1H-benzimidazole-2-thioneDTXSID80233612NS000385894-(5-chlorobenzimidazole-2-thion-1-yl)-piperidine5-Chloro-1-(piperidin-4-yl)-1,3-dihydro-2H-1,3-benzimidazole-2-thione5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazole-2-thione2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1-(4-piperidinyl)-
Database identifiers
- CAS
84604-99-9- PubChem CID
- 3020006
- DTXSID
DTXSID80233612- EC Number
- 283-384-4
- Nikkaji
- J333.534H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 405.1 · 405.1±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 10.42 · 10.42±0.30(Predicted)
Related reactions
2 records
Linked notes
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