ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate

C23H20N2O2S — CID 2817091

IUPACethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-2-27-20(26)16-25-22(18-12-7-4-8-13-18)21(17-10-5-3-6-11-17)24-23(25)19-14-9-15-28-19/h3-15H,2,16H2,1H3
InChIKeyVGYDPSLSLOQOHL-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.51
Rot. Bonds6

About ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate

ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate (PubChem CID 2817091) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate
PubChem CID2817091
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Nameethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-2-27-20(26)16-25-22(18-12-7-4-8-13-18)21(17-10-5-3-6-11-17)24-23(25)19-14-9-15-28-19/h3-15H,2,16H2,1H3
InChIKeyVGYDPSLSLOQOHL-UHFFFAOYSA-N
XLogP5.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate (CID 2817091) is ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate is CCOC(=O)Cn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate?
The InChIKey is VGYDPSLSLOQOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-27-20(26)16-25-22(18-12-7-4-8-13-18)21(17-10-5-3-6-11-17)24-23(25)19-14-9-15-28-19/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate?
ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate has a molecular weight of 388.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate is sourced from PubChem (CID 2817091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).