Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
Basic information
- CAS
41215-89-8- Standard SMILES
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1- InChIKey
YPKJBICYXBSDFT-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3OS
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0389609
Names & identifiers
- Preferred name
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide
- English name
- 2-((1H-benzo[d]imidazol-2-yl)thio)-N-(4-chlorophenyl)acetamide
- Molecular formula
- C15H12ClN3OS
- Molecular weight
- 317.79
Names & synonyms
41215-89-8Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-2-((1H-benzo[d]imidazol-2-yl)thio)-N-(4-chlorophenyl)acetamide2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide2-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)-N-(4-CHLOROPHENYL)ACETAMIDEBRN 08226302-(1H-Benzimidazol-2-ylthio)-N-(4-chlorophenyl)acetamideCBMicro_018275Cambridge id 5346171Oprea1_652818Oprea1_838862CHEMBL5423230
Show more names
SCHEMBL12487210DTXSID30194143CCG-6838NSC810008STK119699AKOS000559422NSC-810008BIM-0018470.P001
Database identifiers
- CAS
41215-89-8- PubChem CID
- 218692
- DTXSID
DTXSID30194143- ChEMBL
CHEMBL5423230
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 213 · 213-214 °C(Solv: ethanol (64-17-5))
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 10.6 · 10.60±0.10(Predicted)
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Compound notes
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