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

C22H18F2N2O2S — CID 142917358

IUPAC5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one
SMILESCC(O)CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1
InChIInChI=1S/C22H18F2N2O2S/c1-14(27)13-26-20(19-3-2-12-29-19)25-22(21(26)28,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-12,14,27H,13H2,1H3
InChIKeyNGXZNTXQUWOCKD-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.94
Rot. Bonds5

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

5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917358) has the molecular formula C22H18F2N2O2S and a molecular weight of 412.46 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one
PubChem CID142917358
Molecular FormulaC22H18F2N2O2S
Molecular Weight412.46 g/mol
Exact Mass412.11
IUPAC Name5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one
SMILESCC(O)CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1
InChIInChI=1S/C22H18F2N2O2S/c1-14(27)13-26-20(19-3-2-12-29-19)25-22(21(26)28,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-12,14,27H,13H2,1H3
InChIKeyNGXZNTXQUWOCKD-UHFFFAOYSA-N
XLogP3.94
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.94
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-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one (CID 142917358) is 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one is CC(O)CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one?
The InChIKey is NGXZNTXQUWOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2S/c1-14(27)13-26-20(19-3-2-12-29-19)25-22(21(26)28,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-12,14,27H,13H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one?
5,5-bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 412.46 g/mol, XLogP of 3.94, 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-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).