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

C22H21F6N5O4 — CID 11657512

IUPACN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCC(F)(F)F)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C22H21F6N5O4/c1-20(2)18(35)33(19(36)32(20)11-13-5-7-29-8-6-13)14-3-4-16(37-22(26,27)28)15(9-14)31-17(34)10-30-12-21(23,24)25/h3-9,30H,10-12H2,1-2H3,(H,31,34)
InChIKeyUHRLHNLPUWGKBE-UHFFFAOYSA-N
MW533.43 g/mol
LogP3.82
Rot. Bonds8

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

N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 11657512) has the molecular formula C22H21F6N5O4 and a molecular weight of 533.43 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-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID11657512
Molecular FormulaC22H21F6N5O4
Molecular Weight533.43 g/mol
Exact Mass533.15
IUPAC NameN-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCC(F)(F)F)c2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C22H21F6N5O4/c1-20(2)18(35)33(19(36)32(20)11-13-5-7-29-8-6-13)14-3-4-16(37-22(26,27)28)15(9-14)31-17(34)10-30-12-21(23,24)25/h3-9,30H,10-12H2,1-2H3,(H,31,34)
InChIKeyUHRLHNLPUWGKBE-UHFFFAOYSA-N
XLogP3.82
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.43
LogP ≤ 53.82
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 N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 11657512) is N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)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-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCC(F)(F)F)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-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UHRLHNLPUWGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N5O4/c1-20(2)18(35)33(19(36)32(20)11-13-5-7-29-8-6-13)14-3-4-16(37-22(26,27)28)15(9-14)31-17(34)10-30-12-21(23,24)25/h3-9,30H,10-12H2,1-2H3,(H,31,34).
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-(2,2,2-trifluoroethylamino)acetamide?
N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 533.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 11657512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).