3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C23H24F4N2O3 — CID 174302476

IUPAC3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(F)c3)C2=O)cc(C)c1OC(C)(C)C
InChIInChI=1S/C23H24F4N2O3/c1-13-8-15(9-14(2)20(13)32-22(3,4)5)11-29-19(30)12-28(21(29)31)16-6-7-17(18(24)10-16)23(25,26)27/h6-10H,11-12H2,1-5H3
InChIKeyOSLBXYRXBCVTIK-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.61
Rot. Bonds4

About 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 174302476) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID174302476
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(F)c3)C2=O)cc(C)c1OC(C)(C)C
InChIInChI=1S/C23H24F4N2O3/c1-13-8-15(9-14(2)20(13)32-22(3,4)5)11-29-19(30)12-28(21(29)31)16-6-7-17(18(24)10-16)23(25,26)27/h6-10H,11-12H2,1-5H3
InChIKeyOSLBXYRXBCVTIK-UHFFFAOYSA-N
XLogP5.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 174302476) is 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(F)c3)C2=O)cc(C)c1OC(C)(C)C.
What is the InChIKey of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is OSLBXYRXBCVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c1-13-8-15(9-14(2)20(13)32-22(3,4)5)11-29-19(30)12-28(21(29)31)16-6-7-17(18(24)10-16)23(25,26)27/h6-10H,11-12H2,1-5H3.
What are the key properties of 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 452.45 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 174302476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).