ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate

C23H20N2O3 — CID 2816996

IUPACethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O3/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
InChIKeyYEUOIMKZMWFFMC-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.04
Rot. Bonds6

About ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate

ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate (PubChem CID 2816996) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
PubChem CID2816996
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Nameethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H20N2O3/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
InChIKeyYEUOIMKZMWFFMC-UHFFFAOYSA-N
XLogP5.04
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate (CID 2816996) is ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate is CCOC(=O)Cn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate?
The InChIKey is YEUOIMKZMWFFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/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-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate?
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate has a molecular weight of 372.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate is sourced from PubChem (CID 2816996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).