5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C24H27F3N4O4 — CID 11620164

IUPAC5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N4O2.C2HF3O2/c1-22(2)20(27)26(21(28)25(22)16-17-10-12-23-13-11-17)19-8-6-18(7-9-19)24-14-4-3-5-15-24;3-2(4,5)1(6)7/h6-13H,3-5,14-16H2,1-2H3;(H,6,7)
InChIKeyBHRLYQKLPSIVBM-UHFFFAOYSA-N
MW492.50 g/mol
LogP4.45
Rot. Bonds4

About 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 11620164) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID11620164
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC Name5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1(C)C(=O)N(c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N4O2.C2HF3O2/c1-22(2)20(27)26(21(28)25(22)16-17-10-12-23-13-11-17)19-8-6-18(7-9-19)24-14-4-3-5-15-24;3-2(4,5)1(6)7/h6-13H,3-5,14-16H2,1-2H3;(H,6,7)
InChIKeyBHRLYQKLPSIVBM-UHFFFAOYSA-N
XLogP4.45
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 23110272
3-[3-chloro-4-(2-hydroxyethylsulfanyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 68763675
3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 59694265
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2,2,2-trifluoro-N-(2-piperidin-1-ylethyl)acetamide
CID 87203211
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(4-methylpiperazin-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 11563731
2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 11585347
5,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 10482803
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 11541846
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-3-(3,3-dimethylmorpholin-4-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 162330888
5,5-dimethyl-3-[3-(4-methylpiperazine-1-carbonyl)-4-(propan-2-ylamino)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 68655681
[2-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylanilino]-1-(4-methylpiperazin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 66915801
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 11556476

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 11620164) is 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is CC1(C)C(=O)N(c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is BHRLYQKLPSIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.C2HF3O2/c1-22(2)20(27)26(21(28)25(22)16-17-10-12-23-13-11-17)19-8-6-18(7-9-19)24-14-4-3-5-15-24;3-2(4,5)1(6)7/h6-13H,3-5,14-16H2,1-2H3;(H,6,7).
What are the key properties of 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 492.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-piperidin-1-ylphenyl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11620164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).