(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C13H13F3N2O3 — CID 154869240

IUPAC(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1NC(=O)N(c2cc(OC)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H13F3N2O3/c1-3-10-11(19)18(12(20)17-10)8-4-7(13(14,15)16)5-9(6-8)21-2/h4-6,10H,3H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyMPCOVXNRBCHUNN-JTQLQIEISA-N
MW302.25 g/mol
LogP2.55
Rot. Bonds3

About (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 154869240) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID154869240
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1NC(=O)N(c2cc(OC)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H13F3N2O3/c1-3-10-11(19)18(12(20)17-10)8-4-7(13(14,15)16)5-9(6-8)21-2/h4-6,10H,3H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyMPCOVXNRBCHUNN-JTQLQIEISA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
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 (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 154869240) is (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CC[C@@H]1NC(=O)N(c2cc(OC)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is MPCOVXNRBCHUNN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-3-10-11(19)18(12(20)17-10)8-4-7(13(14,15)16)5-9(6-8)21-2/h4-6,10H,3H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 302.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).