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

C25H29F3N6O4 — CID 11556476

IUPACN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)ccc2OC(F)(F)F)CC1
InChIInChI=1S/C25H29F3N6O4/c1-24(2)22(36)34(23(37)33(24)15-17-6-8-29-9-7-17)18-4-5-20(38-25(26,27)28)19(14-18)30-21(35)16-32-12-10-31(3)11-13-32/h4-9,14H,10-13,15-16H2,1-3H3,(H,30,35)
InChIKeyLXIOBJHYRZGEGT-UHFFFAOYSA-N
MW534.54 g/mol
LogP2.91
Rot. Bonds7

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

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 11556476) has the molecular formula C25H29F3N6O4 and a molecular weight of 534.54 g/mol. Its IUPAC name is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID11556476
Molecular FormulaC25H29F3N6O4
Molecular Weight534.54 g/mol
Exact Mass534.22
IUPAC NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)ccc2OC(F)(F)F)CC1
InChIInChI=1S/C25H29F3N6O4/c1-24(2)22(36)34(23(37)33(24)15-17-6-8-29-9-7-17)18-4-5-20(38-25(26,27)28)19(14-18)30-21(35)16-32-12-10-31(3)11-13-32/h4-9,14H,10-13,15-16H2,1-3H3,(H,30,35)
InChIKeyLXIOBJHYRZGEGT-UHFFFAOYSA-N
XLogP2.91
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 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) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2cc(N3C(=O)N(Cc4ccncc4)C(C)(C)C3=O)ccc2OC(F)(F)F)CC1.
What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is LXIOBJHYRZGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O4/c1-24(2)22(36)34(23(37)33(24)15-17-6-8-29-9-7-17)18-4-5-20(38-25(26,27)28)19(14-18)30-21(35)16-32-12-10-31(3)11-13-32/h4-9,14H,10-13,15-16H2,1-3H3,(H,30,35).
What are the key properties of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 534.54 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 11556476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).