1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole

C18H17ClN2S — CID 21402207

IUPAC1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
SMILESCc1ccc(SC(Cn2ccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-18(12-21-11-10-20-13-21)15-4-6-16(19)7-5-15/h2-11,13,18H,12H2,1H3
InChIKeyNZJMNJCDYUEHAV-UHFFFAOYSA-N
MW328.87 g/mol
LogP5.38
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole

1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole (PubChem CID 21402207) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
PubChem CID21402207
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC Name1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
SMILESCc1ccc(SC(Cn2ccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-18(12-21-11-10-20-13-21)15-4-6-16(19)7-5-15/h2-11,13,18H,12H2,1H3
InChIKeyNZJMNJCDYUEHAV-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.87
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]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-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole
CID 21402206
1-[2-(3,4-dichlorophenyl)-2-(3,4,5-trichlorophenyl)sulfanylethyl]imidazole
CID 21402409
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)-2-sulfanylethanedithioate
CID 88823753
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanethioate
CID 21422336
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-sulfanylpentanethioate
CID 88823725
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277
4-[2-imidazol-1-yl-1-(2,3,4,5,6-pentachlorophenyl)sulfanylethyl]benzonitrile
CID 21402312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole (CID 21402207) is 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole is Cc1ccc(SC(Cn2ccnc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole?
The InChIKey is NZJMNJCDYUEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c1-14-2-8-17(9-3-14)22-18(12-21-11-10-20-13-21)15-4-6-16(19)7-5-15/h2-11,13,18H,12H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole?
1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole has a molecular weight of 328.87 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole is sourced from PubChem (CID 21402207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).