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

C26H25F3N6O4 — CID 11498374

IUPACN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCc3ccncc3)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C26H25F3N6O4/c1-25(2)23(37)35(24(38)34(25)16-18-7-11-31-12-8-18)19-3-4-21(39-26(27,28)29)20(13-19)33-22(36)15-32-14-17-5-9-30-10-6-17/h3-13,32H,14-16H2,1-2H3,(H,33,36)
InChIKeySRMPVPASRLMFLW-UHFFFAOYSA-N
MW542.52 g/mol
LogP3.85
Rot. Bonds9

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

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 11498374) has the molecular formula C26H25F3N6O4 and a molecular weight of 542.52 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-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID11498374
Molecular FormulaC26H25F3N6O4
Molecular Weight542.52 g/mol
Exact Mass542.19
IUPAC NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCc3ccncc3)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C26H25F3N6O4/c1-25(2)23(37)35(24(38)34(25)16-18-7-11-31-12-8-18)19-3-4-21(39-26(27,28)29)20(13-19)33-22(36)15-32-14-17-5-9-30-10-6-17/h3-13,32H,14-16H2,1-2H3,(H,33,36)
InChIKeySRMPVPASRLMFLW-UHFFFAOYSA-N
XLogP3.85
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
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-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide (CID 11498374) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)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-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCc3ccncc3)c2)C(=O)N1Cc1ccncc1.
What is the InChIKey of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is SRMPVPASRLMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O4/c1-25(2)23(37)35(24(38)34(25)16-18-7-11-31-12-8-18)19-3-4-21(39-26(27,28)29)20(13-19)33-22(36)15-32-14-17-5-9-30-10-6-17/h3-13,32H,14-16H2,1-2H3,(H,33,36).
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-(pyridin-4-ylmethylamino)acetamide?
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 542.52 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 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-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 11498374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).