Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2,4,6-trimethylphenyl)-
Basic information
- CAS
83408-87-1- Standard SMILES
Cc1cc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c(C)c1- InChIKey
NUGBJGPWSDFBOC-UHFFFAOYSA-N- Molecular formula
- C18H19N3OS
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.12488341
Names & identifiers
- Preferred name
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2,4,6-trimethylphenyl)-
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Names & synonyms
BRN 45453652-(1H-Benzimidazol-2-ylthio)-N-(2,4,6-trimethylphenyl)acetamide83408-87-1ACETAMIDE, 2-(1H-BENZIMIDAZOL-2-YLTHIO)-N-(2,4,6-TRIMETHYLPHENYL)-RefChem:314392Oprea1_400937DTXSID8010033982-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamideSTK508069AKOS001319104EU-0035486SR-01000405910
Show more names
SR-01000405910-1Z19650613[(1H-1,3-Benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanimidic acid2-[(1H-Benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanimidic acid
Database identifiers
- CAS
83408-87-1- PubChem CID
- 54997
- DTXSID
DTXSID801003398
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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