Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C(NCc2cccc(F)c2)=N[C@@H]2CCCC[C@@H]21- InChIKey
QJGNHPHUBNDNJT-CVEARBPZSA-N- Molecular formula
- C19H26FN3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.20090524
Names & identifiers
- Preferred name
- tert-butyl (3aR,7aS)-2-[(3-fluorophenyl)methylamino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxylate
- IUPAC
- tert-butyl (3aR,7aS)-2-[(3-fluorophenyl)methylamino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxylate
Database identifiers
- PubChem CID
- 68569166
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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