Basic information
- CAS
41215-93-4- Standard SMILES
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1- InChIKey
VGJMVNQAVYLDDM-UHFFFAOYSA-N- Molecular formula
- C15H12N4O3S
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.06301143
Names & identifiers
- Preferred name
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-nitrophenyl)-
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide
Names & synonyms
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-nitrophenyl)-2-(1H-Benzimidazol-2-ylthio)-N-(4-nitrophenyl)acetamide41215-93-42-(1H-Benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamideBRN 08416452-(1H-benzimidazol-2-ylsulfanyl)-N-{4-nitrophenyl}acetamideCHEMBL1289258SCHEMBL12487319DTXSID90194144VGJMVNQAVYLDDM-UHFFFAOYSA-NSTK126312AKOS001056873
Show more names
ST0138292-(2-Benzimidazolylthio)-4'-nitroacetanilideAG-205/078510182-benzimidazol-2-ylthio-N-(4-nitrophenyl)acetamideZ196507092-(1H-Benzimidazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide #2-((1H-benzo[d]imidazol-2-yl)thio)-N-(4-nitrophenyl)acetamide2-[(1H-1,3-Benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Database identifiers
- CAS
41215-93-4- PubChem CID
- 218693
- DTXSID
DTXSID90194144- ChEMBL
CHEMBL1289258
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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