1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole

C17H20Cl2N2S2 — CID 20518434

IUPAC1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCCC1CSC(CCn2ccnc2)(c2ccc(Cl)cc2Cl)SC1
InChIInChI=1S/C17H20Cl2N2S2/c1-2-13-10-22-17(23-11-13,5-7-21-8-6-20-12-21)15-4-3-14(18)9-16(15)19/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3
InChIKeyGIDJPOOIRLVPHU-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.94
Rot. Bonds5

About 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole

1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole (PubChem CID 20518434) has the molecular formula C17H20Cl2N2S2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole
PubChem CID20518434
Molecular FormulaC17H20Cl2N2S2
Molecular Weight387.40 g/mol
Exact Mass386.04
IUPAC Name1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCCC1CSC(CCn2ccnc2)(c2ccc(Cl)cc2Cl)SC1
InChIInChI=1S/C17H20Cl2N2S2/c1-2-13-10-22-17(23-11-13,5-7-21-8-6-20-12-21)15-4-3-14(18)9-16(15)19/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3
InChIKeyGIDJPOOIRLVPHU-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-methyl-2-(2,4,6-trichlorophenyl)-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518732
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518671
1-[2-[4-ethyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518578
1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dithiolan-2-yl]methyl]-1,2,4-triazole
CID 88697866
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
CID 19843308
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518875
1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dithiolan-2-yl]methyl]-1,2,4-triazole
CID 88697835
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54343351
1-[3-[4-butyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithiolan-2-yl]propyl]imidazole
CID 20518543
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole (CID 20518434) is 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole is CCC1CSC(CCn2ccnc2)(c2ccc(Cl)cc2Cl)SC1.
What is the InChIKey of 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole?
The InChIKey is GIDJPOOIRLVPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2S2/c1-2-13-10-22-17(23-11-13,5-7-21-8-6-20-12-21)15-4-3-14(18)9-16(15)19/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3.
What are the key properties of 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole?
1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole has a molecular weight of 387.40 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole is sourced from PubChem (CID 20518434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).