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Basic information
- Standard SMILES
CC(NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C#N)c(F)c1- InChIKey
KPRYMSHFAHNROT-UHFFFAOYSA-N- Molecular formula
- C22H20FN5O
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 2-(7-Cyano-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]ethyl}acetamide
- IUPAC
- 2-(7-cyanobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
Names & synonyms
SCHEMBL306914KPRYMSHFAHNROT-UHFFFAOYSA-N2-(7-Cyano-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)-3-fluorophenyl]ethyl}acetamide
Database identifiers
- PubChem CID
- 59804263
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 706
Related reactions
3 records
Compound notes
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