1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one

C25H30F3N3O3 — CID 10127939

IUPAC1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H30F3N3O3/c1-18-6-7-19(16-21(18)25(26,27)28)30-12-13-31(24(30)32)20-8-9-22(33-2)23(17-20)34-15-14-29-10-4-3-5-11-29/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeyYLNIWEXPAFDSQT-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.33
Rot. Bonds7

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

1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 10127939) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID10127939
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H30F3N3O3/c1-18-6-7-19(16-21(18)25(26,27)28)30-12-13-31(24(30)32)20-8-9-22(33-2)23(17-20)34-15-14-29-10-4-3-5-11-29/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeyYLNIWEXPAFDSQT-UHFFFAOYSA-N
XLogP5.33
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(3,5-Difluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
CID 44404623
1-(3-Fluoro-phenyl)-3-[4-methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-imidazolidin-2-one
CID 9866423
1-[4-Methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 10127968
1-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 10150393
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazolidin-2-one
CID 10194524
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
CID 10237852
3-(3-Fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 10238108
1-[4-Methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-phenylimidazolidin-2-one
CID 10309622
3-(4-Fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 24888182
1-(3-(3-Morpholinopropoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 25015280
1-(3,5-Difluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
CID 44404619

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 10127939) is 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is YLNIWEXPAFDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-18-6-7-19(16-21(18)25(26,27)28)30-12-13-31(24(30)32)20-8-9-22(33-2)23(17-20)34-15-14-29-10-4-3-5-11-29/h6-9,16-17H,3-5,10-15H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 477.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 10127939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).