N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide

C26H23F3N4O3S — CID 59694321

IUPACN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(SC(F)(F)F)cc4)C(=O)C3(C)C)ccn2)cc1
InChIInChI=1S/C26H23F3N4O3S/c1-16-4-6-18(7-5-16)22(34)31-21-14-17(12-13-30-21)15-32-24(36)33(23(35)25(32,2)3)19-8-10-20(11-9-19)37-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,31,34)
InChIKeyYPRZOGZNNGCCCS-UHFFFAOYSA-N
MW528.56 g/mol
LogP6.00
Rot. Bonds6

About N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 59694321) has the molecular formula C26H23F3N4O3S and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide
PubChem CID59694321
Molecular FormulaC26H23F3N4O3S
Molecular Weight528.56 g/mol
Exact Mass528.14
IUPAC NameN-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(SC(F)(F)F)cc4)C(=O)C3(C)C)ccn2)cc1
InChIInChI=1S/C26H23F3N4O3S/c1-16-4-6-18(7-5-16)22(34)31-21-14-17(12-13-30-21)15-32-24(36)33(23(35)25(32,2)3)19-8-10-20(11-9-19)37-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,31,34)
InChIKeyYPRZOGZNNGCCCS-UHFFFAOYSA-N
XLogP6.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide (CID 59694321) is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(CN3C(=O)N(c4ccc(SC(F)(F)F)cc4)C(=O)C3(C)C)ccn2)cc1.
What is the InChIKey of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is YPRZOGZNNGCCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3S/c1-16-4-6-18(7-5-16)22(34)31-21-14-17(12-13-30-21)15-32-24(36)33(23(35)25(32,2)3)19-8-10-20(11-9-19)37-26(27,28)29/h4-14H,15H2,1-3H3,(H,30,31,34).
What are the key properties of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide?
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 528.56 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 59694321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).