Basic information
- Standard SMILES
Cc1nc(C(C)C(C)(C)F)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
JPFQUEFRLCLESW-UHFFFAOYSA-N- Molecular formula
- C28H29FN2
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.2314771
Names & identifiers
- Preferred name
- 4-(2-Fluoro-1,2-dimethylpropyl)-2-methyl-1-trityl-1h-imidazole
- IUPAC
- 4-(3-fluoro-3-methylbutan-2-yl)-2-methyl-1-tritylimidazole
Names & synonyms
SCHEMBL3503154JPFQUEFRLCLESW-UHFFFAOYSA-N4-(2-fluoro-1,2-dimethylpropyl)-2-methyl-1-trityl-1h-imidazole
Database identifiers
- PubChem CID
- 59161985
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 512
Related reactions
1 records
Compound notes
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