(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide

C24H25F3N4O4 — CID 142686805

IUPAC(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(OC(F)(F)F)c(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)c1
InChIInChI=1S/C24H25F3N4O4/c1-5-6-15(2)20(32)29-17-7-8-19(35-24(25,26)27)18(13-17)31-21(33)23(3,4)30(22(31)34)14-16-9-11-28-12-10-16/h6-13H,5,14H2,1-4H3,(H,29,32)/b15-6+
InChIKeyVOTUMJDWAXHLAM-GIDUJCDVSA-N
MW490.48 g/mol
LogP5.02
Rot. Bonds7

About (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide

(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide (PubChem CID 142686805) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide
PubChem CID142686805
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(OC(F)(F)F)c(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)c1
InChIInChI=1S/C24H25F3N4O4/c1-5-6-15(2)20(32)29-17-7-8-19(35-24(25,26)27)18(13-17)31-21(33)23(3,4)30(22(31)34)14-16-9-11-28-12-10-16/h6-13H,5,14H2,1-4H3,(H,29,32)/b15-6+
InChIKeyVOTUMJDWAXHLAM-GIDUJCDVSA-N
XLogP5.02
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide?
The IUPAC name of (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide (CID 142686805) is (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide is CC/C=C(\C)C(=O)Nc1ccc(OC(F)(F)F)c(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)c1.
What is the InChIKey of (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide?
The InChIKey is VOTUMJDWAXHLAM-GIDUJCDVSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-5-6-15(2)20(32)29-17-7-8-19(35-24(25,26)27)18(13-17)31-21(33)23(3,4)30(22(31)34)14-16-9-11-28-12-10-16/h6-13H,5,14H2,1-4H3,(H,29,32)/b15-6+.
What are the key properties of (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide?
(E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide has a molecular weight of 490.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-4-(trifluoromethoxy)phenyl]-2-methylpent-2-enamide is sourced from PubChem (CID 142686805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).