2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid

C26H32F3N5O5 — CID 11519638

IUPAC2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N5O3.C2HF3O2/c1-16(2)19-8-7-18(13-20(19)26-21(30)15-27(5)6)29-22(31)24(3,4)28(23(29)32)14-17-9-11-25-12-10-17;3-2(4,5)1(6)7/h7-13,16H,14-15H2,1-6H3,(H,26,30);(H,6,7)
InChIKeyORSPDHRNAYJHRH-UHFFFAOYSA-N
MW551.57 g/mol
LogP4.09
Rot. Bonds7

About 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid

2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11519638) has the molecular formula C26H32F3N5O5 and a molecular weight of 551.57 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID11519638
Molecular FormulaC26H32F3N5O5
Molecular Weight551.57 g/mol
Exact Mass551.24
IUPAC Name2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31N5O3.C2HF3O2/c1-16(2)19-8-7-18(13-20(19)26-21(30)15-27(5)6)29-22(31)24(3,4)28(23(29)32)14-17-9-11-25-12-10-17;3-2(4,5)1(6)7/h7-13,16H,14-15H2,1-6H3,(H,26,30);(H,6,7)
InChIKeyORSPDHRNAYJHRH-UHFFFAOYSA-N
XLogP4.09
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid (CID 11519638) is 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CN(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ORSPDHRNAYJHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3.C2HF3O2/c1-16(2)19-8-7-18(13-20(19)26-21(30)15-27(5)6)29-22(31)24(3,4)28(23(29)32)14-17-9-11-25-12-10-17;3-2(4,5)1(6)7/h7-13,16H,14-15H2,1-6H3,(H,26,30);(H,6,7).
What are the key properties of 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?
2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 551.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11519638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).