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

C17H20Cl2N2S2 — CID 20518671

IUPAC1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCC1CCSC(CCn2ccnc2)(Cc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C17H20Cl2N2S2/c1-13-4-9-22-17(23-13,5-7-21-8-6-20-12-21)11-14-2-3-15(18)10-16(14)19/h2-3,6,8,10,12-13H,4-5,7,9,11H2,1H3
InChIKeyWADDBBTZUJBAKZ-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.78
Rot. Bonds5

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

1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole (PubChem CID 20518671) has the molecular formula C17H20Cl2N2S2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
PubChem CID20518671
Molecular FormulaC17H20Cl2N2S2
Molecular Weight387.40 g/mol
Exact Mass386.04
IUPAC Name1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
SMILESCC1CCSC(CCn2ccnc2)(Cc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C17H20Cl2N2S2/c1-13-4-9-22-17(23-13,5-7-21-8-6-20-12-21)11-14-2-3-15(18)10-16(14)19/h2-3,6,8,10,12-13H,4-5,7,9,11H2,1H3
InChIKeyWADDBBTZUJBAKZ-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-ethyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518578
1-[[2-[3-(4-chlorophenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518787
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518875
1-[2-[4-methyl-2-(2,4,6-trichlorophenyl)-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518732
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
CID 19843308
1-[2-[2-[(2,4-dimethylphenyl)methyl]-5-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518725
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518821
1-[[4-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518457
1-[2-[2-[(4-bromophenyl)methyl]-4-methyl-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518486
1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518434
1-[3-[4-butyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithiolan-2-yl]propyl]imidazole
CID 20518543
1-[[2-[3-(4-ethylphenyl)propyl]-4-methyl-1,3-dithian-2-yl]methyl]imidazole
CID 20518499

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole (CID 20518671) is 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole is CC1CCSC(CCn2ccnc2)(Cc2ccc(Cl)cc2Cl)S1.
What is the InChIKey of 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole?
The InChIKey is WADDBBTZUJBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2S2/c1-13-4-9-22-17(23-13,5-7-21-8-6-20-12-21)11-14-2-3-15(18)10-16(14)19/h2-3,6,8,10,12-13H,4-5,7,9,11H2,1H3.
What are the key properties of 1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole?
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole has a molecular weight of 387.40 g/mol, XLogP of 5.78, 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)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole is sourced from PubChem (CID 20518671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).