1-(4-nitrophenethyl)-1H-imidazole
Basic information
- CAS
56643-91-5- Standard SMILES
O=[N+]([O-])c1ccc(CCn2ccnc2)cc1- InChIKey
HCPMKJOVCNZGSD-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 1-(4-nitrophenethyl)-1H-imidazole
- IUPAC
- 1-[2-(4-nitrophenyl)ethyl]imidazole
Names & synonyms
56643-91-51-(4-nitrophenethyl)-1H-imidazole1-[2-(4-nitrophenyl)ethyl]-1H-imidazole1-[2-(4-nitrophenyl)ethyl]imidazoleMFCD05669796CHEMBL1098425HMS2885O15N-[2-(4'-Nitrophenyl)ethyl]-imidazoleMLS001195428SCHEMBL9663626DTXSID30391397HCPMKJOVCNZGSD-UHFFFAOYSA-N
Show more names
BDBM50318407AKOS010189447MS-1973SMR000550723N-[2-(4''-Nitrophenyl)ethyl]-imidazoleSR-01000308458SR-01000308458-1
Database identifiers
- CAS
56643-91-5- PubChem CID
- 3317166
- DTXSID
DTXSID30391397- ChEMBL
CHEMBL1098425- Nikkaji
- J708.454D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>32.6 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
3 records
Compound notes
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