4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C18H16F4N2O — CID 14050272

IUPAC4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3
InChIKeyPDUQFVARAGKEGL-UHFFFAOYSA-N
MW352.33 g/mol
LogP5.07
Rot. Bonds3

About 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 14050272) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID14050272
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3
InChIKeyPDUQFVARAGKEGL-UHFFFAOYSA-N
XLogP5.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 14050272) is 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CCC1CN(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is PDUQFVARAGKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c1-2-14-11-23(16-5-3-4-12(10-16)18(20,21)22)17(25)24(14)15-8-6-13(19)7-9-15/h3-10,14H,2,11H2,1H3.
What are the key properties of 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 352.33 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 14050272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).