Basic information
- Standard SMILES
COC(=O)c1cc(-c2ncc([C@@H]3CCCO3)[nH]2)c(C)cc1C- InChIKey
OVUOUCHOSCMUGQ-HNNXBMFYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
Names & identifiers
- Preferred name
- (S)-methyl 2,4-dimethyl-5-(5-(tetrahydrofuran-2-yl)-1H-imidazol-2-yl)benzoate
- IUPAC
- methyl 2,4-dimethyl-5-[5-[(2S)-oxolan-2-yl]-1H-imidazol-2-yl]benzoate
Names & synonyms
SCHEMBL12488940SCHEMBL29981009OVUOUCHOSCMUGQ-HNNXBMFYSA-N(S)-methyl 2,4-dimethyl-5-(5-(tetrahydrofuran-2-yl)-1H-imidazol-2-yl)benzoate
Database identifiers
- PubChem CID
- 68288792
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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