5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione

C19H17F3N2O4 — CID 146563952

IUPAC5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cc2)cc1OC(F)(F)F
InChIInChI=1S/C19H17F3N2O4/c1-11-4-7-14(10-15(11)28-19(20,21)22)27-13-8-5-12(6-9-13)24-16(25)18(2,3)23-17(24)26/h4-10H,1-3H3,(H,23,26)
InChIKeyKSLGWNMCKCMZGY-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.52
Rot. Bonds4

About 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione (PubChem CID 146563952) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione
PubChem CID146563952
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cc2)cc1OC(F)(F)F
InChIInChI=1S/C19H17F3N2O4/c1-11-4-7-14(10-15(11)28-19(20,21)22)27-13-8-5-12(6-9-13)24-16(25)18(2,3)23-17(24)26/h4-10H,1-3H3,(H,23,26)
InChIKeyKSLGWNMCKCMZGY-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione (CID 146563952) is 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione is Cc1ccc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cc2)cc1OC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione?
The InChIKey is KSLGWNMCKCMZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-11-4-7-14(10-15(11)28-19(20,21)22)27-13-8-5-12(6-9-13)24-16(25)18(2,3)23-17(24)26/h4-10H,1-3H3,(H,23,26).
What are the key properties of 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione has a molecular weight of 394.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146563952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).