1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C30H24ClF3N2O3 — CID 69048226

IUPAC1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccccc1CC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClF3N2O3/c1-38-27-8-3-2-5-20(27)18-29(21-6-4-7-22(17-21)30(32,33)34)19-35-28(37)36(29)24-11-15-26(16-12-24)39-25-13-9-23(31)10-14-25/h2-17H,18-19H2,1H3,(H,35,37)
InChIKeyUNARJZXXESXLPD-UHFFFAOYSA-N
MW552.98 g/mol
LogP7.83
Rot. Bonds7

About 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69048226) has the molecular formula C30H24ClF3N2O3 and a molecular weight of 552.98 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69048226
Molecular FormulaC30H24ClF3N2O3
Molecular Weight552.98 g/mol
Exact Mass552.14
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccccc1CC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClF3N2O3/c1-38-27-8-3-2-5-20(27)18-29(21-6-4-7-22(17-21)30(32,33)34)19-35-28(37)36(29)24-11-15-26(16-12-24)39-25-13-9-23(31)10-14-25/h2-17H,18-19H2,1H3,(H,35,37)
InChIKeyUNARJZXXESXLPD-UHFFFAOYSA-N
XLogP7.83
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 ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69047570
(5S)-1-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044445
2-(2-chloroacetyl)-3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 87721643
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045082
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
3-chloro-4-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110583854
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63543176
(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
1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69043142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69048226) is 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccccc1CC1(c2cccc(C(F)(F)F)c2)CNC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is UNARJZXXESXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF3N2O3/c1-38-27-8-3-2-5-20(27)18-29(21-6-4-7-22(17-21)30(32,33)34)19-35-28(37)36(29)24-11-15-26(16-12-24)39-25-13-9-23(31)10-14-25/h2-17H,18-19H2,1H3,(H,35,37).
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 552.98 g/mol, XLogP of 7.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)phenyl]-5-[(2-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69048226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).