4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole

C19H20N2O2S — CID 4110825

IUPAC4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole
SMILESCCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SC)n2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-23-17-9-5-14(6-10-17)18-13-21(19(20-18)24-3)15-7-11-16(22-2)12-8-15/h5-13H,4H2,1-3H3
InChIKeyWYIKAJASMFPOTN-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole

4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole (PubChem CID 4110825) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole
PubChem CID4110825
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole
SMILESCCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SC)n2)cc1
InChIInChI=1S/C19H20N2O2S/c1-4-23-17-9-5-14(6-10-17)18-13-21(19(20-18)24-3)15-7-11-16(22-2)12-8-15/h5-13H,4H2,1-3H3
InChIKeyWYIKAJASMFPOTN-UHFFFAOYSA-N
XLogP4.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole?
The IUPAC name of 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole (CID 4110825) is 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole is CCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SC)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole?
The InChIKey is WYIKAJASMFPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-23-17-9-5-14(6-10-17)18-13-21(19(20-18)24-3)15-7-11-16(22-2)12-8-15/h5-13H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole?
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole has a molecular weight of 340.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-methylsulfanylimidazole is sourced from PubChem (CID 4110825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).