1-Piperidinecarbothioamide, 4-(5-chloro-1H-benzimidazol-2-YL)-N-(3,5-dimethylphenyl)-
Basic information
- CAS
605629-17-2- Standard SMILES
Cc1cc(C)cc(NC(=S)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1- InChIKey
LLGIZVZMRGUEMD-UHFFFAOYSA-N- Molecular formula
- C21H23ClN4S
- Average molar mass
- 399 g/mol
Names & identifiers
- Preferred name
- 1-Piperidinecarbothioamide, 4-(5-chloro-1H-benzimidazol-2-YL)-N-(3,5-dimethylphenyl)-
- IUPAC
- 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide
- English name
- 1-Piperidinecarbothioamide,4-(5-chloro-1H-benzimidazol-2-yl)-N-(3,5-dimethylphenyl)-(9CI)
- Molecular formula
- C21H23ClN4S
- Molecular weight
- 398.95
Names & synonyms
AKOS000763195605629-17-2DB-2685331-PIPERIDINECARBOTHIOAMIDE, 4-(5-CHLORO-1H-BENZIMIDAZOL-2-YL)-N-(3,5-DIMETHYLPHENYL)-1-Piperidinecarbothioamide, 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,5-dimethylphenyl)-1-Piperidinecarbothioamide,4-(5-chloro-1H-benzimidazol-2-yl)-N-(3,5-dimethylphenyl)-(9CI)
Database identifiers
- CAS
605629-17-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 605.3 · 605.3±65.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 10.58 · 10.58±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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