Basic information
- CAS
30065-35-1- Standard SMILES
Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1- InChIKey
QJTBTVKWLSOQTQ-UHFFFAOYSA-N- Molecular formula
- C16H15N3OS
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.09358328
Names & identifiers
- Preferred name
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-methylphenyl)-
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide
- English name
- 2-((1H-benzo[d]imidazol-2-yl)thio)-N-(p-tolyl)acetamide
- Molecular formula
- C16H15N3OS
- Molecular weight
- 297.37
Names & synonyms
30065-35-1Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-methylphenyl)-2-((1H-benzo[d]imidazol-2-yl)thio)-N-(p-tolyl)acetamide2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamideCHEMBL53994542-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)-N-(4-METHYLPHENYL)ACETAMIDEBRN 08917292-(1H-Benzimidazol-2-ylthio)-N-(4-methylphenyl)acetamideOprea1_588166Oprea1_744471SCHEMBL15347348DTXSID00184132
Show more names
BDBM50618256NSC810015STK128136AKOS000400131NSC-810015ST50113762AF-615/311540562-benzimidazol-2-ylthio-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
30065-35-1- PubChem CID
- 207451
- DTXSID
DTXSID00184132- ChEMBL
CHEMBL5399454
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 357
Physicochemical properties
- Melting point
- 92 · 92-93 °C(Solv: ethanol (64-17-5))
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 10.61 · 10.61±0.10(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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