(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione

C18H16F3N3O4 — CID 53241401

IUPAC(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C18H16F3N3O4/c1-3-13-16(25)24(17(26)23-13)11-5-7-15(22-9-11)27-12-6-4-10(2)14(8-12)28-18(19,20)21/h4-9,13H,3H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyJFNGOQQEZATLIZ-CYBMUJFWSA-N
MW395.34 g/mol
LogP3.92
Rot. Bonds5

About (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione

(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 53241401) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID53241401
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC Name(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O
InChIInChI=1S/C18H16F3N3O4/c1-3-13-16(25)24(17(26)23-13)11-5-7-15(22-9-11)27-12-6-4-10(2)14(8-12)28-18(19,20)21/h4-9,13H,3H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyJFNGOQQEZATLIZ-CYBMUJFWSA-N
XLogP3.92
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.92
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 (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 53241401) is (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione is CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C)c(OC(F)(F)F)c3)nc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is JFNGOQQEZATLIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-3-13-16(25)24(17(26)23-13)11-5-7-15(22-9-11)27-12-6-4-10(2)14(8-12)28-18(19,20)21/h4-9,13H,3H2,1-2H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 395.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 53241401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).