3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C24H25F3N2O4 — CID 174303131

IUPAC3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1C
InChIInChI=1S/C24H25F3N2O4/c1-14-10-17(11-15(2)21(14)33-23(4,5)16(3)30)12-29-20(31)13-28(22(29)32)19-8-6-18(7-9-19)24(25,26)27/h6-11H,12-13H2,1-5H3
InChIKeyBDYOJFSNCMQGEX-UHFFFAOYSA-N
MW462.47 g/mol
LogP5.04
Rot. Bonds6

About 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 174303131) has the molecular formula C24H25F3N2O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID174303131
Molecular FormulaC24H25F3N2O4
Molecular Weight462.47 g/mol
Exact Mass462.18
IUPAC Name3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1C
InChIInChI=1S/C24H25F3N2O4/c1-14-10-17(11-15(2)21(14)33-23(4,5)16(3)30)12-29-20(31)13-28(22(29)32)19-8-6-18(7-9-19)24(25,26)27/h6-11H,12-13H2,1-5H3
InChIKeyBDYOJFSNCMQGEX-UHFFFAOYSA-N
XLogP5.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 174303131) is 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1C.
What is the InChIKey of 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is BDYOJFSNCMQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4/c1-14-10-17(11-15(2)21(14)33-23(4,5)16(3)30)12-29-20(31)13-28(22(29)32)19-8-6-18(7-9-19)24(25,26)27/h6-11H,12-13H2,1-5H3.
What are the key properties of 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 462.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 174303131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).