4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
Basic information
- CAS
688791-29-9- Standard SMILES
CCOc1ccc(-c2cn(-c3ccccc3OC)c(=S)[nH]2)cc1- InChIKey
VTWPVYGREZZHSQ-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10889899
Names & identifiers
- Preferred name
- 4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
- IUPAC
- 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1H-imidazole-2-thione
Names & synonyms
688791-29-94-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1H-imidazole-2-thione4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2,3-dihydro-1H-imidazole-2-thioneF3168-1586MLS001201155CHEMBL1433860DTXSID101323634HMS2863K06SMSSF-0054048CCG-33463AKOS002095817
Show more names
SMR000564187VU0512481-14-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione4-(p-ethoxyphenyl)-1-(o-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
Database identifiers
- CAS
688791-29-9- PubChem CID
- 3380966
- DTXSID
DTXSID101323634- ChEMBL
CHEMBL1433860
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Solubility17.7 [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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