Basic information
- CAS
188848-57-9- Standard SMILES
Cc1ccc(C(Cc2ccc([N+](=O)[O-])cc2)n2ccnc2)s1- InChIKey
PPOVOHFUTJOZCD-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.0884979
Names & identifiers
- Preferred name
- 1H-Imidazole, 1-[1-(5-methyl-2-thienyl)-2-(4-nitrophenyl)ethyl]-
- IUPAC
- 1-[1-(5-methylthiophen-2-yl)-2-(4-nitrophenyl)ethyl]imidazole
Names & synonyms
1H-Imidazole, 1-[1-(5-methyl-2-thienyl)-2-(4-nitrophenyl)ethyl]-188848-57-9DTXSID703335341-[1-(5-methylthiophen-2-yl)-2-(4-nitrophenyl)ethyl]-1H-imidazole1-[1-(5-methyl-2-thienyl)-2-(4-nitrophenyl)ethyl]imidazole
Database identifiers
- CAS
188848-57-9- PubChem CID
- 511590
- DTXSID
DTXSID70333534- Nikkaji
- J828.914J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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