Basic information
- Standard SMILES
CC(NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C)nc1Cl- InChIKey
CFSFMRBQOICZBR-UHFFFAOYSA-N- Molecular formula
- C21H22ClN5O
- Average molar mass
- 395.9 g/mol
Names & identifiers
- Preferred name
- N-[1-(6-tert-butyl-2-chloropyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide
- IUPAC
- N-[1-(6-tert-butyl-2-chloro-3-pyridinyl)ethyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
Names & synonyms
SCHEMBL2692169CFSFMRBQOICZBR-UHFFFAOYSA-NN-[1-(6-tert-butyl-2-chloropyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide
Database identifiers
- PubChem CID
- 23633971
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
Related reactions
3 records
Compound notes
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