{2-[3-(4-cyano-3-fluoro-benzyl)-2-methyl-3H-imidazol-4-yl]-ethyl}-tert-butyl Urea
Basic information
- Standard SMILES
Cc1ncc(CCN(C(N)=O)C(C)(C)C)n1Cc1ccc(C#N)c(F)c1- InChIKey
SEOAKBCHPQPKHE-UHFFFAOYSA-N- Molecular formula
- C19H24FN5O
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- {2-[3-(4-cyano-3-fluoro-benzyl)-2-methyl-3H-imidazol-4-yl]-ethyl}-tert-butyl Urea
- IUPAC
- 1-tert-butyl-1-[2-[3-[(4-cyano-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethyl]urea
Names & synonyms
SCHEMBL7674727SEOAKBCHPQPKHE-UHFFFAOYSA-N{2-[3-(4-cyano-3-fluoro-benzyl)-2-methyl-3H-imidazol-4-yl]-ethyl}-tert-butyl Urea
Database identifiers
- PubChem CID
- 21706166
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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