Basic information
- CAS
189353-88-6- Standard SMILES
CC(=O)c1cncn1Cc1ccccc1- InChIKey
BLQNOZHGIDFFAS-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 1-(1-Benzyl-1H-imidazol-5-yl)ethan-1-one
- IUPAC
- 1-(3-benzylimidazol-4-yl)ethanone
- English name
- 1-(1-benzyl-1H-imidazol-5-yl)ethanone
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.23648
Names & synonyms
189353-88-6DTXSID104694821-(1-Benzyl-1H-imidazol-5-yl)ethan-1-oneRefChem:222393DTXCID004203001-(1-benzyl-1H-imidazol-5-yl)ethanone5-Acetyl-1-benzylimidazoleSCHEMBL18126321-benzyl-5-acetyl-1H-imidazoleBLQNOZHGIDFFAS-UHFFFAOYSA-NDA-088151-(3-benzyl-3h-imidazol-4-yl)-ethanone
Database identifiers
- CAS
189353-88-6- PubChem CID
- 11615368
- DTXSID
DTXSID10469482
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Suppliers3 total
Related reactions
5 records
Compound notes
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