N-[(3-benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methylideneamino]-4-chloroaniline
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Basic information
- CAS
477854-39-0- Standard SMILES
C=CCSc1ncc(C=NNc2ccc(Cl)cc2)n1Cc1ccccc1- InChIKey
PLZVDFZRPLBPEA-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4S
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1018955
Names & identifiers
- Preferred name
- N-[(3-benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methylideneamino]-4-chloroaniline
- IUPAC
- N-[(3-benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methylideneamino]-4-chloroaniline
- English name
- 2-(ALLYLSULFANYL)-1-BENZYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-CHLOROPHENYL)HYDRAZONE
- Molecular formula
- C20H19ClN4S
- Molecular weight
- 382.91
Names & synonyms
Bionet1_0039142-(ALLYLSULFANYL)-1-BENZYL-1H-IMIDAZOLE-5-CARBALDEHYDE N-(4-CHLOROPHENYL)HYDRAZONE1H-Imidazole-5-carboxaldehyde, 1-(phenylmethyl)-2-(2-propen-1-ylthio)-, 2-(4-chlorophenyl)hydrazone1-benzyl-5-[(1E)-[2-(4-chlorophenyl)hydrazin-1-ylidene]methyl]-2-(prop-2-en-1-ylsulfanyl)-1H-imidazole
Database identifiers
- CAS
477854-39-0- PubChem CID
- 2767625
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 570.443 · 570.443±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.209 · 1.209±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.687 · 12.687±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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