Basic information
- CAS
107392-76-7- Standard SMILES
O=[N+]([O-])c1ccc(-c2cn3c(n2)CCC3)cc1- InChIKey
YJEUKSXNJPGTOE-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 6,7-Dihydro-2-(4-nitrophenyl)-5H-pyrrolo(1,2-a)imidazole
- IUPAC
- 2-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Names & synonyms
107392-76-76,7-Dihydro-2-(4-nitrophenyl)-5H-pyrrolo[1,2-a]imidazole6,7-Dihydro-2-(4-nitrophenyl)-5H-pyrrolo(1,2-a)imidazoleRefChem:3061372-(4-nitrophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazoleOprea1_724837MLS000780018CHEMBL1603668DTXSID201201528HMS2783A10STL321728AKOS003625894
Show more names
SMR0004202012-(4-Nitro-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Database identifiers
- CAS
107392-76-7- PubChem CID
- 910705
- DTXSID
DTXSID201201528- ChEMBL
CHEMBL1603668
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
Solubility25.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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