Basic information
- CAS
100134-80-3- Standard SMILES
CCOC(=O)c1ccc(C2=NCCN2)cc1- InChIKey
YRLXFQIXPNFGPQ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- ethyl 4-(4,5-dihydro-1H-imidazol-2-yl)benzoate
- IUPAC
- ethyl 4-(4,5-dihydro-1H-imidazol-2-yl)benzoate
Names & synonyms
100134-80-3ethyl 4-(4,5-dihydro-1H-imidazol-2-yl)benzoateSCHEMBL3905775DTXSID90627669YRLXFQIXPNFGPQ-UHFFFAOYSA-Nethyl 4-(2-imidazoline-2-yl)benzoateEthyl 4-(4,5-dihydroimidazol-2-yl)benzoate
Database identifiers
- CAS
100134-80-3- PubChem CID
- 22709787
- DTXSID
DTXSID90627669
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
4 records
Compound notes
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