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

C21H16F2N2OS — CID 142917718

IUPAC3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
SMILESCCN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1
InChIInChI=1S/C21H16F2N2OS/c1-2-25-19(18-4-3-13-27-18)24-21(20(25)26,14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h3-13H,2H2,1H3
InChIKeySUJLBUDEKMJCSA-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.58
Rot. Bonds4

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

3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917718) has the molecular formula C21H16F2N2OS and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
PubChem CID142917718
Molecular FormulaC21H16F2N2OS
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
SMILESCCN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1
InChIInChI=1S/C21H16F2N2OS/c1-2-25-19(18-4-3-13-27-18)24-21(20(25)26,14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h3-13H,2H2,1H3
InChIKeySUJLBUDEKMJCSA-UHFFFAOYSA-N
XLogP4.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one (CID 142917718) is 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one is CCN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1.
What is the InChIKey of 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The InChIKey is SUJLBUDEKMJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2OS/c1-2-25-19(18-4-3-13-27-18)24-21(20(25)26,14-5-9-16(22)10-6-14)15-7-11-17(23)12-8-15/h3-13H,2H2,1H3.
What are the key properties of 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 382.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).