1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole

C14H16Cl2N2S — CID 21402411

IUPAC1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
SMILESCCCSC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h3-6,8,10,14H,2,7,9H2,1H3
InChIKeyJYQIXJJYWUTCTD-UHFFFAOYSA-N
MW315.27 g/mol
LogP5.07
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole (PubChem CID 21402411) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
PubChem CID21402411
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
SMILESCCCSC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h3-6,8,10,14H,2,7,9H2,1H3
InChIKeyJYQIXJJYWUTCTD-UHFFFAOYSA-N
XLogP5.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.27
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[3-(2,4-dichlorophenyl)-3-pentylsulfanylpropyl]imidazole
CID 21415372
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanyl-hexylsulfanylmethanone
CID 21421010
1-[3-(2,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415180
S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] octanethioate;oxalic acid
CID 90672791
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;1H-imidazole
CID 159216337
1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
CID 21402241
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanyl-[(2,4-dichlorophenyl)methoxysulfanyl]methanone
CID 21421028
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole (CID 21402411) is 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole is CCCSC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole?
The InChIKey is JYQIXJJYWUTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h3-6,8,10,14H,2,7,9H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole has a molecular weight of 315.27 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole is sourced from PubChem (CID 21402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).