2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

C17H16ClFN2O2S2 — CID 2148677

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2S2/c1-12-5-7-13(8-6-12)25(22,23)21-10-9-20-17(21)24-11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3
InChIKeyRKTJDXVKVPUHKP-UHFFFAOYSA-N
MW398.91 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 2148677) has the molecular formula C17H16ClFN2O2S2 and a molecular weight of 398.91 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID2148677
Molecular FormulaC17H16ClFN2O2S2
Molecular Weight398.91 g/mol
Exact Mass398.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O2S2/c1-12-5-7-13(8-6-12)25(22,23)21-10-9-20-17(21)24-11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3
InChIKeyRKTJDXVKVPUHKP-UHFFFAOYSA-N
XLogP4.08
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole (CID 2148677) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is RKTJDXVKVPUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S2/c1-12-5-7-13(8-6-12)25(22,23)21-10-9-20-17(21)24-11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 398.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).