4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one

C16H16F2N2O2S — CID 156902179

IUPAC4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
SMILESCCOCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1
InChIInChI=1S/C16H16F2N2O2S/c1-2-22-7-10-5-9(8-23-10)11-3-4-12(15(18)14(11)17)13-6-19-16(21)20-13/h3-5,8,13H,2,6-7H2,1H3,(H2,19,20,21)
InChIKeyHQYNTARZQMAECO-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.58
Rot. Bonds5

About 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one

4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one (PubChem CID 156902179) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
PubChem CID156902179
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
SMILESCCOCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1
InChIInChI=1S/C16H16F2N2O2S/c1-2-22-7-10-5-9(8-23-10)11-3-4-12(15(18)14(11)17)13-6-19-16(21)20-13/h3-5,8,13H,2,6-7H2,1H3,(H2,19,20,21)
InChIKeyHQYNTARZQMAECO-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The IUPAC name of 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one (CID 156902179) is 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The canonical SMILES for 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one is CCOCc1cc(-c2ccc(C3CNC(=O)N3)c(F)c2F)cs1.
What is the InChIKey of 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The InChIKey is HQYNTARZQMAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c1-2-22-7-10-5-9(8-23-10)11-3-4-12(15(18)14(11)17)13-6-19-16(21)20-13/h3-5,8,13H,2,6-7H2,1H3,(H2,19,20,21).
What are the key properties of 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one has a molecular weight of 338.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 156902179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).