[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate

C20H20F3N3O4 — CID 166955525

IUPAC[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
SMILESCCOC1C(OC(=O)Cc2ccccc2)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C20H20F3N3O4/c1-3-29-17-18(30-16(27)11-13-7-5-4-6-8-13)26(19(28)25(17)2)15-12-14(9-10-24-15)20(21,22)23/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeySGPMOHQIBODETA-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.45
Rot. Bonds6

About [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate

[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate (PubChem CID 166955525) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate.

Molecular Properties

Compound Name[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
PubChem CID166955525
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
SMILESCCOC1C(OC(=O)Cc2ccccc2)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C20H20F3N3O4/c1-3-29-17-18(30-16(27)11-13-7-5-4-6-8-13)26(19(28)25(17)2)15-12-14(9-10-24-15)20(21,22)23/h4-10,12,17-18H,3,11H2,1-2H3
InChIKeySGPMOHQIBODETA-UHFFFAOYSA-N
XLogP3.45
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5R)-5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 138554329
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
(4R)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073765
(4S,5S)-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073774
(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 142474446
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methanol;1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161035746
ethyl 2-[3-[2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]indol-1-yl]acetate
CID 139629777
(4-cyano-2-ethoxyphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8800017

Frequently Asked Questions

What is the IUPAC name of [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate?
The IUPAC name of [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate (CID 166955525) is [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate.
What is the SMILES notation for [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate?
The canonical SMILES for [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate is CCOC1C(OC(=O)Cc2ccccc2)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate?
The InChIKey is SGPMOHQIBODETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-3-29-17-18(30-16(27)11-13-7-5-4-6-8-13)26(19(28)25(17)2)15-12-14(9-10-24-15)20(21,22)23/h4-10,12,17-18H,3,11H2,1-2H3.
What are the key properties of [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate?
[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate has a molecular weight of 423.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate is sourced from PubChem (CID 166955525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).