1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C23H20F3N3O2 — CID 122671525

IUPAC1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3ccccc3C(F)(F)F)C2=O)ccc1-c1ccncc1
InChIInChI=1S/C23H20F3N3O2/c1-31-21-14-18(6-7-19(21)16-8-10-27-11-9-16)29-13-12-28(22(29)30)15-17-4-2-3-5-20(17)23(24,25)26/h2-11,14H,12-13,15H2,1H3
InChIKeyKPGDFUHOPVGYCA-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.22
Rot. Bonds5

About 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 122671525) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID122671525
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3ccccc3C(F)(F)F)C2=O)ccc1-c1ccncc1
InChIInChI=1S/C23H20F3N3O2/c1-31-21-14-18(6-7-19(21)16-8-10-27-11-9-16)29-13-12-28(22(29)30)15-17-4-2-3-5-20(17)23(24,25)26/h2-11,14H,12-13,15H2,1H3
InChIKeyKPGDFUHOPVGYCA-UHFFFAOYSA-N
XLogP5.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4-methyl-3-pyridin-3-yl-phenyl)-amide
CID 10550405
1-[4-Methyl-3-(4-methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10623020
N-(3-fluoro-4-methyl-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10623205
1-[3-(4-Methyl-3-pyridyl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10646133
1-[4-t-Butyl-3-(pyrid-3-yl)phenylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10528314
3-(pyridin-4-yl)-N-(2-(trifluoromethoxy)benzyl)pyrrolidine-1-carboxamide
CID 46891217
1-(3-Methoxy-4-pyridin-4-ylphenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 118238884
3-(3-Methoxyphenyl)-1-(3-methoxy-4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 118239056
1-[5-(4-Phenylphenoxy)pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 493092
5-methoxy-N-(2-methyl-3-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10526501
5-methoxy-N-(4-pyridin-4-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10549658
5-methoxy-N-(4-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10573762

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 122671525) is 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is COc1cc(N2CCN(Cc3ccccc3C(F)(F)F)C2=O)ccc1-c1ccncc1.
What is the InChIKey of 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is KPGDFUHOPVGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-31-21-14-18(6-7-19(21)16-8-10-27-11-9-16)29-13-12-28(22(29)30)15-17-4-2-3-5-20(17)23(24,25)26/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 427.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridin-4-ylphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 122671525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).