N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C23H24F3N3O3 — CID 167763599

IUPACN-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C23H24F3N3O3/c1-21(2,3)16-7-5-6-8-17(16)27-18(30)13-29-19(31)22(4,28-20(29)32)14-9-11-15(12-10-14)23(24,25)26/h5-12H,13H2,1-4H3,(H,27,30)(H,28,32)
InChIKeyCFAZEAFRHHIRDY-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.41
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 167763599) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID167763599
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C23H24F3N3O3/c1-21(2,3)16-7-5-6-8-17(16)27-18(30)13-29-19(31)22(4,28-20(29)32)14-9-11-15(12-10-14)23(24,25)26/h5-12H,13H2,1-4H3,(H,27,30)(H,28,32)
InChIKeyCFAZEAFRHHIRDY-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2438941
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2711003
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55516274
2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 60617450
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18272609
N-(2-bromophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2581057
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303
N-(2,3-dichlorophenyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 46484652
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 167763599) is N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is CC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is CFAZEAFRHHIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-21(2,3)16-7-5-6-8-17(16)27-18(30)13-29-19(31)22(4,28-20(29)32)14-9-11-15(12-10-14)23(24,25)26/h5-12H,13H2,1-4H3,(H,27,30)(H,28,32).
What are the key properties of N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 167763599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).