(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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Related Compounds

5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 61314233
5-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478434
5-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478264
1-(3,5-dimethoxyphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64956840
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91329102
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
1-[3-methoxy-5-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
CID 122476116
(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171183951

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).