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

C30H24ClF3N2O3 — CID 69045082

IUPAC1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClF3N2O3/c1-38-28-14-5-19(15-26(28)20-6-10-24(11-7-20)39-25-12-8-23(31)9-13-25)17-36-18-27(35-29(36)37)21-3-2-4-22(16-21)30(32,33)34/h2-16,27H,17-18H2,1H3,(H,35,37)
InChIKeyUEGDNFMAKWWESR-UHFFFAOYSA-N
MW552.98 g/mol
LogP8.09
Rot. Bonds7

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

1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69045082) has the molecular formula C30H24ClF3N2O3 and a molecular weight of 552.98 g/mol. Its IUPAC name is 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69045082
Molecular FormulaC30H24ClF3N2O3
Molecular Weight552.98 g/mol
Exact Mass552.14
IUPAC Name1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClF3N2O3/c1-38-28-14-5-19(15-26(28)20-6-10-24(11-7-20)39-25-12-8-23(31)9-13-25)17-36-18-27(35-29(36)37)21-3-2-4-22(16-21)30(32,33)34/h2-16,27H,17-18H2,1H3,(H,35,37)
InChIKeyUEGDNFMAKWWESR-UHFFFAOYSA-N
XLogP8.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.98
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048368
1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69043142
1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 58604029
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(3R)-1-[[4-(2-methoxyphenyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 160934077
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54376016
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669159
1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69048226
4-(4-chlorophenoxy)-6-[(3S)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 93296909
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69045082) is 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)NC2=O)cc1-c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is UEGDNFMAKWWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF3N2O3/c1-38-28-14-5-19(15-26(28)20-6-10-24(11-7-20)39-25-12-8-23(31)9-13-25)17-36-18-27(35-29(36)37)21-3-2-4-22(16-21)30(32,33)34/h2-16,27H,17-18H2,1H3,(H,35,37).
What are the key properties of 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 552.98 g/mol, XLogP of 8.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69045082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).