2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole

C18H17ClN2O2S2 — CID 10620563

IUPAC2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCSCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-24-12-15-11-21(16-7-9-17(10-8-16)25(2,22)23)18(20-15)13-3-5-14(19)6-4-13/h3-11H,12H2,1-2H3
InChIKeyBGJCSBGDLULOSI-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.46
Rot. Bonds5

About 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole

2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10620563) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10620563
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCSCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O2S2/c1-24-12-15-11-21(16-7-9-17(10-8-16)25(2,22)23)18(20-15)13-3-5-14(19)6-4-13/h3-11H,12H2,1-2H3
InChIKeyBGJCSBGDLULOSI-UHFFFAOYSA-N
XLogP4.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10620563) is 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole is CSCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is BGJCSBGDLULOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-24-12-15-11-21(16-7-9-17(10-8-16)25(2,22)23)18(20-15)13-3-5-14(19)6-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole?
2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 392.93 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(methylsulfanylmethyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10620563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).