5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C21H22F3N5O5S — CID 23133442

IUPAC5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCN(c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H22F3N5O5S/c1-20(18(30)26-19(31)27-20)13-35(32,33)29-10-8-28(9-11-29)17-7-4-15(12-25-17)14-2-5-16(6-3-14)34-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H2,26,27,30,31)
InChIKeyUKSMRIVYNZTVMD-UHFFFAOYSA-N
MW513.50 g/mol
LogP1.70
Rot. Bonds6

About 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 23133442) has the molecular formula C21H22F3N5O5S and a molecular weight of 513.50 g/mol. Its IUPAC name is 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID23133442
Molecular FormulaC21H22F3N5O5S
Molecular Weight513.50 g/mol
Exact Mass513.13
IUPAC Name5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)N2CCN(c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H22F3N5O5S/c1-20(18(30)26-19(31)27-20)13-35(32,33)29-10-8-28(9-11-29)17-7-4-15(12-25-17)14-2-5-16(6-3-14)34-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H2,26,27,30,31)
InChIKeyUKSMRIVYNZTVMD-UHFFFAOYSA-N
XLogP1.70
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23133627
(5S)-5-methyl-5-[[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 59794410
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-[[(4S)-4-methylimidazolidin-4-yl]methylsulfonyl]piperazine
CID 141057877
(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 73349097
5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502
5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133575
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451
1-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfonyl]piperidine-4-carboxylic acid
CID 69288109
(2-amino-2-oxoethyl) N-[2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 123162350
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 23133442) is 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is CC1(CS(=O)(=O)N2CCN(c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is UKSMRIVYNZTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O5S/c1-20(18(30)26-19(31)27-20)13-35(32,33)29-10-8-28(9-11-29)17-7-4-15(12-25-17)14-2-5-16(6-3-14)34-21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H2,26,27,30,31).
What are the key properties of 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 513.50 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23133442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).