1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C23H22ClF3N4O2 — CID 68705803

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1nc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1
InChIInChI=1S/C23H22ClF3N4O2/c1-22(2,3)20-28-19(29-33-20)13-30-12-18(14-5-4-6-15(11-14)23(25,26)27)31(21(30)32)17-9-7-16(24)8-10-17/h4-11,18H,12-13H2,1-3H3
InChIKeyPVCHBGFULQAZHK-UHFFFAOYSA-N
MW478.90 g/mol
LogP6.22
Rot. Bonds4

About 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 68705803) has the molecular formula C23H22ClF3N4O2 and a molecular weight of 478.90 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID68705803
Molecular FormulaC23H22ClF3N4O2
Molecular Weight478.90 g/mol
Exact Mass478.14
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1nc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1
InChIInChI=1S/C23H22ClF3N4O2/c1-22(2,3)20-28-19(29-33-20)13-30-12-18(14-5-4-6-15(11-14)23(25,26)27)31(21(30)32)17-9-7-16(24)8-10-17/h4-11,18H,12-13H2,1-3H3
InChIKeyPVCHBGFULQAZHK-UHFFFAOYSA-N
XLogP6.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.90
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
CID 154064021
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68704352
3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68703968
2-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 68703664
3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702907
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
(4S)-3-(4-chlorophenyl)-1-[3-[4-[hydroxy(methyl)amino]piperazin-1-yl]propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 162599914
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 68705803) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CC(C)(C)c1nc(CN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Cl)cc3)C2=O)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is PVCHBGFULQAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O2/c1-22(2,3)20-28-19(29-33-20)13-30-12-18(14-5-4-6-15(11-14)23(25,26)27)31(21(30)32)17-9-7-16(24)8-10-17/h4-11,18H,12-13H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 478.90 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 68705803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).