2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone
Basic information
- CAS
53333-28-1- Standard SMILES
O=C(CC1=NCCN1)c1ccccc1- InChIKey
YACFUBILLPHORR-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone
Names & synonyms
53333-28-12-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethanone2-(4,5-Dihydro-1H-imidazol-2-yl)-1-phenylethan-1-oneNSC295585CHEMBL1975909DTXSID30315619NSC-295585NCI60_002474
Database identifiers
- CAS
53333-28-1- PubChem CID
- 325968
- DTXSID
DTXSID30315619- ChEMBL
CHEMBL1975909
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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