3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide

C20H19F3N4O4 — CID 91495703

IUPAC3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1C(CC(N)=O)c1ccncc1
InChIInChI=1S/C20H19F3N4O4/c1-19(2)17(29)26(13-3-5-14(6-4-13)31-20(21,22)23)18(30)27(19)15(11-16(24)28)12-7-9-25-10-8-12/h3-10,15H,11H2,1-2H3,(H2,24,28)
InChIKeyJQNDRTIPPBZDRW-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.14
Rot. Bonds6

About 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide

3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide (PubChem CID 91495703) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide
PubChem CID91495703
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1C(CC(N)=O)c1ccncc1
InChIInChI=1S/C20H19F3N4O4/c1-19(2)17(29)26(13-3-5-14(6-4-13)31-20(21,22)23)18(30)27(19)15(11-16(24)28)12-7-9-25-10-8-12/h3-10,15H,11H2,1-2H3,(H2,24,28)
InChIKeyJQNDRTIPPBZDRW-UHFFFAOYSA-N
XLogP3.14
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-hydroxyphenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 91457548
2-methyl-4-[3-(2-methylpropyl)-4-pyridinyl]-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150879683
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 68766888
5,5-dimethyl-3-[2-methyl-4-(trifluoromethoxy)phenyl]-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 59694310
4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 150162598
ethyl N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]carbamate
CID 151315633
5,5-dimethyl-1-[piperidin-3-yl(quinolin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 91556267
4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 152644488
ethane;2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]acetamide
CID 144727692
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
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

Frequently Asked Questions

What is the IUPAC name of 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide (CID 91495703) is 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1C(CC(N)=O)c1ccncc1.
What is the InChIKey of 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is JQNDRTIPPBZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-19(2)17(29)26(13-3-5-14(6-4-13)31-20(21,22)23)18(30)27(19)15(11-16(24)28)12-7-9-25-10-8-12/h3-10,15H,11H2,1-2H3,(H2,24,28).
What are the key properties of 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide?
3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 436.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 91495703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).