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

C19H26N2OS2 — CID 20518480

IUPAC1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
SMILESCCC1CCSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1
InChIInChI=1S/C19H26N2OS2/c1-3-18-9-13-23-19(24-18,14-21-12-11-20-15-21)10-8-16-4-6-17(22-2)7-5-16/h4-7,11-12,15,18H,3,8-10,13-14H2,1-2H3
InChIKeySIJALYHCLRJSDH-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.87
Rot. Bonds7

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

1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole (PubChem CID 20518480) has the molecular formula C19H26N2OS2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
PubChem CID20518480
Molecular FormulaC19H26N2OS2
Molecular Weight362.56 g/mol
Exact Mass362.15
IUPAC Name1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
SMILESCCC1CCSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1
InChIInChI=1S/C19H26N2OS2/c1-3-18-9-13-23-19(24-18,14-21-12-11-20-15-21)10-8-16-4-6-17(22-2)7-5-16/h4-7,11-12,15,18H,3,8-10,13-14H2,1-2H3
InChIKeySIJALYHCLRJSDH-UHFFFAOYSA-N
XLogP4.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518504
1-[[2-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518961
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-[[4-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518457
1-[[2-[3-(4-ethylphenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518499
1-[[2-[3-(4-chlorophenyl)propyl]-4-ethyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518474
1-[[2-[3-(4-chlorophenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518787
1-[2-[4-butyl-2-[2-(4-ethylphenyl)ethyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518379
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518821
1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
CID 13084411
1-[[5-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518796

Frequently Asked Questions

What is the IUPAC name of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole?
The IUPAC name of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole (CID 20518480) is 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole is CCC1CCSC(CCc2ccc(OC)cc2)(Cn2ccnc2)S1.
What is the InChIKey of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole?
The InChIKey is SIJALYHCLRJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS2/c1-3-18-9-13-23-19(24-18,14-21-12-11-20-15-21)10-8-16-4-6-17(22-2)7-5-16/h4-7,11-12,15,18H,3,8-10,13-14H2,1-2H3.
What are the key properties of 1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole?
1-[[4-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole has a molecular weight of 362.56 g/mol, XLogP of 4.87, 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-dithian-2-yl]methyl]imidazole is sourced from PubChem (CID 20518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).