1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C29H22ClF3N2O4S — CID 69043142

IUPAC1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C29H22ClF3N2O4S/c1-40(37,38)27-14-11-21(35-17-25(34-28(35)36)18-5-4-6-19(15-18)29(31,32)33)16-24(27)23-7-2-3-8-26(23)39-22-12-9-20(30)10-13-22/h2-16,25H,17H2,1H3,(H,34,36)
InChIKeyNHVJWNWXLBKSEU-UHFFFAOYSA-N
MW587.02 g/mol
LogP7.49
Rot. Bonds6

About 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69043142) has the molecular formula C29H22ClF3N2O4S and a molecular weight of 587.02 g/mol. Its IUPAC name is 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69043142
Molecular FormulaC29H22ClF3N2O4S
Molecular Weight587.02 g/mol
Exact Mass586.09
IUPAC Name1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C29H22ClF3N2O4S/c1-40(37,38)27-14-11-21(35-17-25(34-28(35)36)18-5-4-6-19(15-18)29(31,32)33)16-24(27)23-7-2-3-8-26(23)39-22-12-9-20(30)10-13-22/h2-16,25H,17H2,1H3,(H,34,36)
InChIKeyNHVJWNWXLBKSEU-UHFFFAOYSA-N
XLogP7.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.02
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048368
1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045082
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide
CID 69047018
(4R)-1-(4-methylsulfonylphenyl)-4-phenylimidazolidin-2-one
CID 163902103
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69043142) is 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CS(=O)(=O)c1ccc(N2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is NHVJWNWXLBKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClF3N2O4S/c1-40(37,38)27-14-11-21(35-17-25(34-28(35)36)18-5-4-6-19(15-18)29(31,32)33)16-24(27)23-7-2-3-8-26(23)39-22-12-9-20(30)10-13-22/h2-16,25H,17H2,1H3,(H,34,36).
What are the key properties of 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 587.02 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69043142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).