5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one

C21H16F2N2O2S — CID 142917326

IUPAC5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCO)C(c2cccs2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H16F2N2O2S/c22-16-7-3-14(4-8-16)21(15-5-9-17(23)10-6-15)20(27)25(11-12-26)19(24-21)18-2-1-13-28-18/h1-10,13,26H,11-12H2
InChIKeyLPRMBLWFVKKJSG-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.55
Rot. Bonds5

About 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917326) has the molecular formula C21H16F2N2O2S and a molecular weight of 398.43 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one
PubChem CID142917326
Molecular FormulaC21H16F2N2O2S
Molecular Weight398.43 g/mol
Exact Mass398.09
IUPAC Name5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCO)C(c2cccs2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H16F2N2O2S/c22-16-7-3-14(4-8-16)21(15-5-9-17(23)10-6-15)20(27)25(11-12-26)19(24-21)18-2-1-13-28-18/h1-10,13,26H,11-12H2
InChIKeyLPRMBLWFVKKJSG-UHFFFAOYSA-N
XLogP3.55
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one (CID 142917326) is 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one is O=C1N(CCO)C(c2cccs2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one?
The InChIKey is LPRMBLWFVKKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2S/c22-16-7-3-14(4-8-16)21(15-5-9-17(23)10-6-15)20(27)25(11-12-26)19(24-21)18-2-1-13-28-18/h1-10,13,26H,11-12H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 398.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).