5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C24H24F4N4O3 — CID 46516528

IUPAC5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C24H24F4N4O3/c1-23(17-5-7-19(25)8-6-17)21(34)32(22(35)29-23)15-20(33)31-11-9-30(10-12-31)14-16-3-2-4-18(13-16)24(26,27)28/h2-8,13H,9-12,14-15H2,1H3,(H,29,35)
InChIKeyCKKAZRCRXVTVRT-UHFFFAOYSA-N
MW492.47 g/mol
LogP2.96
Rot. Bonds5

About 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 46516528) has the molecular formula C24H24F4N4O3 and a molecular weight of 492.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID46516528
Molecular FormulaC24H24F4N4O3
Molecular Weight492.47 g/mol
Exact Mass492.18
IUPAC Name5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C24H24F4N4O3/c1-23(17-5-7-19(25)8-6-17)21(34)32(22(35)29-23)15-20(33)31-11-9-30(10-12-31)14-16-3-2-4-18(13-16)24(26,27)28/h2-8,13H,9-12,14-15H2,1H3,(H,29,35)
InChIKeyCKKAZRCRXVTVRT-UHFFFAOYSA-N
XLogP2.96
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46523676
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43044254
(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 39771345
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743
5-(3,4-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 16570909
1-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyridin-2-one
CID 86977859
tert-butyl 4-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46419163
2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120703341
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55519050

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 46516528) is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is CKKAZRCRXVTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O3/c1-23(17-5-7-19(25)8-6-17)21(34)32(22(35)29-23)15-20(33)31-11-9-30(10-12-31)14-16-3-2-4-18(13-16)24(26,27)28/h2-8,13H,9-12,14-15H2,1H3,(H,29,35).
What are the key properties of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 492.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46516528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).