3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one

C12H13F3N2O3S — CID 133499797

IUPAC3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one
SMILESCCN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C12H13F3N2O3S/c1-2-16-8-17(7-11(16)18)9-3-5-10(6-4-9)21(19,20)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyRPARQDTYKDTHDU-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.61
Rot. Bonds3

About 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one

3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one (PubChem CID 133499797) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one
PubChem CID133499797
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one
SMILESCCN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C12H13F3N2O3S/c1-2-16-8-17(7-11(16)18)9-3-5-10(6-4-9)21(19,20)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyRPARQDTYKDTHDU-UHFFFAOYSA-N
XLogP1.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one (CID 133499797) is 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one is CCN1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one?
The InChIKey is RPARQDTYKDTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c1-2-16-8-17(7-11(16)18)9-3-5-10(6-4-9)21(19,20)12(13,14)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one?
3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one has a molecular weight of 322.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 133499797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).