1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole
Basic information
- CAS
105555-81-5- Standard SMILES
C/C(=C/c1ncc([N+](=O)[O-])n1C)c1ccccc1- InChIKey
GYTYTBZZOIPNOI-NTMALXAHSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- 1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole
- IUPAC
- 1-methyl-5-nitro-2-[(Z)-2-phenylprop-1-enyl]imidazole
Names & synonyms
1-Methyl-5-nitro-2-(2-phenyl-1-propenyl)-1H-imidazole1H-Imidazole, 1-methyl-5-nitro-2-(2-phenyl-1-propenyl)-105555-81-5
Database identifiers
- CAS
105555-81-5- PubChem CID
- 6440107
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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