1-(4-Chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
Basic information
- CAS
59897-85-7- Standard SMILES
O=C(CC(=O)N1CCN=C1Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1- InChIKey
SUMKAYJISXXSPW-UHFFFAOYSA-N- Molecular formula
- C18H14Cl3N3O2
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 409.01516
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
- IUPAC
- 1-(4-chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dione
Names & synonyms
59897-85-7NSC2856661-(4-chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]propane-1,3-dioneDTXSID80314556NSC-2856661-(4-Chlorophenyl)-3-[2-(2,6-dichloroanilino)-4,5-dihydro-1H-imidazol-1-yl]propane-1,3-dione
Database identifiers
- CAS
59897-85-7- PubChem CID
- 323635
- DTXSID
DTXSID80314556
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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