Basic information
- Standard SMILES
COc1nc(C(C)(C)C)ccc1C(C)NC(=O)Cn1cnc2cccc(C#N)c21- InChIKey
KVIWZGDQZSWRMU-UHFFFAOYSA-N- Molecular formula
- C22H25N5O2
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- N-[1-(6-tert-butyl-2-methoxypyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide
- IUPAC
- N-[1-(6-tert-butyl-2-methoxy-3-pyridinyl)ethyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
Names & synonyms
SCHEMBL2694269KVIWZGDQZSWRMU-UHFFFAOYSA-NN-[1-(6-tert-butyl-2-methoxypyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide
Database identifiers
- PubChem CID
- 23633968
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 624
Related reactions
3 records
Compound notes
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