ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate

C19H18N2O2S — CID 2816892

IUPACethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-2-23-18(22)14-24-19-20-17(15-9-5-3-6-10-15)13-21(19)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyPYFOTIFZYCPBDQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.19
Rot. Bonds6

About ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate

ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate (PubChem CID 2816892) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate
PubChem CID2816892
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-2-23-18(22)14-24-19-20-17(15-9-5-3-6-10-15)13-21(19)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyPYFOTIFZYCPBDQ-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate (CID 2816892) is ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1.
What is the InChIKey of ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate?
The InChIKey is PYFOTIFZYCPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-23-18(22)14-24-19-20-17(15-9-5-3-6-10-15)13-21(19)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate?
ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate has a molecular weight of 338.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-diphenylimidazol-2-yl)sulfanylacetate is sourced from PubChem (CID 2816892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).