N-(2-Cyanoethyl)-N-(4-fluorophenyl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetamide
Basic information
- CAS
771514-26-2- Standard SMILES
Cn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc21- InChIKey
CRXSVLOBBCMKQV-UHFFFAOYSA-N- Molecular formula
- C19H17FN4OS
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.11071051
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)-N-(4-fluorophenyl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetamide
- IUPAC
- N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
Names & synonyms
DTXSID601128900AKOS033419142N-(2-Cyanoethyl)-N-(4-fluorophenyl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]acetamide771514-26-2Z15477963N-(2-Cyanoethyl)-N-(4-fluorophenyl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
771514-26-2- PubChem CID
- 3974868
- DTXSID
DTXSID601128900
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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