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

C24H20ClF3N2O2 — CID 68705698

IUPAC3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-32-21-11-5-16(6-12-21)14-29-15-22(17-3-2-4-18(13-17)24(26,27)28)30(23(29)31)20-9-7-19(25)8-10-20/h2-13,22H,14-15H2,1H3
InChIKeyZGKREPYNMIZJJA-UHFFFAOYSA-N
MW460.88 g/mol
LogP6.55
Rot. Bonds5

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

3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 68705698) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID68705698
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC Name3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-32-21-11-5-16(6-12-21)14-29-15-22(17-3-2-4-18(13-17)24(26,27)28)30(23(29)31)20-9-7-19(25)8-10-20/h2-13,22H,14-15H2,1H3
InChIKeyZGKREPYNMIZJJA-UHFFFAOYSA-N
XLogP6.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 68705698) is 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is ZGKREPYNMIZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c1-32-21-11-5-16(6-12-21)14-29-15-22(17-3-2-4-18(13-17)24(26,27)28)30(23(29)31)20-9-7-19(25)8-10-20/h2-13,22H,14-15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 460.88 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 68705698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).