1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole

C18H24N2OS2 — CID 20518504

IUPAC1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
SMILESCCC1CSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1
InChIInChI=1S/C18H24N2OS2/c1-3-17-12-22-18(23-17,13-20-11-10-19-14-20)9-8-15-4-6-16(21-2)7-5-15/h4-7,10-11,14,17H,3,8-9,12-13H2,1-2H3
InChIKeyAUHYLESHZZOPFN-UHFFFAOYSA-N
MW348.54 g/mol
LogP4.48
Rot. Bonds7

About 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole

1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole (PubChem CID 20518504) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
PubChem CID20518504
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC Name1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
SMILESCCC1CSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1
InChIInChI=1S/C18H24N2OS2/c1-3-17-12-22-18(23-17,13-20-11-10-19-14-20)9-8-15-4-6-16(21-2)7-5-15/h4-7,10-11,14,17H,3,8-9,12-13H2,1-2H3
InChIKeyAUHYLESHZZOPFN-UHFFFAOYSA-N
XLogP4.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
CID 20518480
1-[[2-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518961
1-[[2-[3-(4-chlorophenyl)propyl]-4-ethyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518474
1-[[2-[3-(4-methoxyphenyl)propyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518795
1-[[2-[2-(4-ethoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518645
1-[[5-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518796
1-[[4-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518457
1-[[4-ethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518507
1-[[2-[2-(3,5-dimethylphenyl)ethyl]-4-methyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518529
1-[[2-[3-(4-ethylphenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518499
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920
1-[[4-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547843

Frequently Asked Questions

What is the IUPAC name of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole (CID 20518504) is 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole is CCC1CSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1.
What is the InChIKey of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole?
The InChIKey is AUHYLESHZZOPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-3-17-12-22-18(23-17,13-20-11-10-19-14-20)9-8-15-4-6-16(21-2)7-5-15/h4-7,10-11,14,17H,3,8-9,12-13H2,1-2H3.
What are the key properties of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole?
1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole has a molecular weight of 348.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole is sourced from PubChem (CID 20518504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).