1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

C22H24F3N3O — CID 45272425

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESCC(c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
InChIInChI=1S/C22H24F3N3O/c1-16(17-7-4-8-20(13-17)22(23,24)25)28-12-11-27(21(28)29)10-9-26-14-18-5-2-3-6-19(18)15-26/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyGFLAXMWGVQJOMI-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.52
Rot. Bonds5

About 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (PubChem CID 45272425) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
PubChem CID45272425
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESCC(c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
InChIInChI=1S/C22H24F3N3O/c1-16(17-7-4-8-20(13-17)22(23,24)25)28-12-11-27(21(28)29)10-9-26-14-18-5-2-3-6-19(18)15-26/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyGFLAXMWGVQJOMI-UHFFFAOYSA-N
XLogP4.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 9872808
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 10152974
1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]-1-phenethyl-pyrrolidinium
CID 16664965
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51002992
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51003055
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenylpyrrolidine-1-carboxamide
CID 6102825
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51003118
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51003119
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
[2-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 20599010
(S)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid biphenyl-4-ylmethyl-methyl-amide
CID 44418464
(S)-isoindolin-2-yl(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 44418471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (CID 45272425) is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is CC(c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The InChIKey is GFLAXMWGVQJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-16(17-7-4-8-20(13-17)22(23,24)25)28-12-11-27(21(28)29)10-9-26-14-18-5-2-3-6-19(18)15-26/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one has a molecular weight of 403.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45272425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).