Basic information
- CAS
30065-33-9- Standard SMILES
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1- InChIKey
WVWIDWYWASPVGN-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.07793322
Names & identifiers
- Preferred name
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenylacetamide
- English name
- 2-((1H-benzo[d]imidazol-2-yl)thio)-N-phenylacetamide
- Molecular formula
- C15H13N3OS
- Molecular weight
- 283.35
Names & synonyms
30065-33-9Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-2-(1H-Benzimidazol-2-ylthio)-N-phenylacetamide2-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)-N-PHENYLACETAMIDE2-(1H-benzimidazol-2-ylsulfanyl)-N-phenylacetamide2-((1H-benzo[d]imidazol-2-yl)thio)-N-phenylacetamideZINC72490BRN 0889448Oprea1_578553Oprea1_758433CBDivE_013808IFLab1_004094
Show more names
CHEMBL1288608SCHEMBL12485740DTXSID80184130HMS1423K02CCG-20201MFCD00692950NSC810009STK012627
Database identifiers
- CAS
30065-33-9- PubChem CID
- 207449
- DTXSID
DTXSID80184130- ChEMBL
CHEMBL1288608
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 199.1 · 199.1-200.5 °C(Solv: dichloromethane (75-09-2); ligroine (8032-32-4))
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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