2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole

C16H14Cl2N2O2S2 — CID 2148825

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2
InChIKeyNLXCLGNICIBVBE-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.29
Rot. Bonds4

About 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole

2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2148825) has the molecular formula C16H14Cl2N2O2S2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2148825
Molecular FormulaC16H14Cl2N2O2S2
Molecular Weight401.34 g/mol
Exact Mass399.99
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2
InChIKeyNLXCLGNICIBVBE-UHFFFAOYSA-N
XLogP4.29
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole (CID 2148825) is 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole is O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is NLXCLGNICIBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S2/c17-13-4-6-15(7-5-13)24(21,22)20-9-8-19-16(20)23-11-12-2-1-3-14(18)10-12/h1-7,10H,8-9,11H2.
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole?
2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 401.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-1-(4-chlorophenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).