1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one
Basic information
- CAS
444151-75-1- Standard SMILES
CCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1- InChIKey
MSPAHMDPWLHWAC-UHFFFAOYSA-N- Molecular formula
- C30H31ClF3N5O3S
- Average molar mass
- 634.1 g/mol
Names & identifiers
- Preferred name
- 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one
- IUPAC
- 3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-4-ethyl-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one
- English name
- 1-(4-(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)phenyl)-5-ethyl-4-(1-[(4-methylphenyl)sulfonyl]ethyl)-1,3-dihydro-2H-imidazol-2-one
- Molecular formula
- C30H31ClF3N5O3S
- Molecular weight
- 634.11
Names & synonyms
444151-75-11-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)-5-ethyl-4-[1-(4-methylbenzenesulfonyl)ethyl]-2,3-dihydro-1H-imidazol-2-one3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-4-ethyl-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-oneAKOS00507550010R-02671-(4-(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)phenyl)-5-ethyl-4-(1-[(4-methylphenyl)sulfonyl]ethyl)-1,3-dihydro-2H-imidazol-2-one2H-Imidazol-2-one, 1-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]phenyl]-5-ethyl-1,3-dihydro-4-[1-[(4-methylphenyl)sulfonyl]ethyl]-
Database identifiers
- CAS
444151-75-1
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 11.28 · 11.28±0.70(Predicted)
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Compound notes
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