4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol

C22H17ClFN3O2S2 — CID 18461212

IUPAC4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol
SMILESCS(=O)c1cc(Cl)cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccccn3)[nH]2)c1O
InChIInChI=1S/C22H17ClFN3O2S2/c1-31(29)18-11-15(23)10-14(21(18)28)12-30-22-26-19(13-5-7-16(24)8-6-13)20(27-22)17-4-2-3-9-25-17/h2-11,28H,12H2,1H3,(H,26,27)
InChIKeyLQJCVIKPWCYPDP-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.67
Rot. Bonds6

About 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol

4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol (PubChem CID 18461212) has the molecular formula C22H17ClFN3O2S2 and a molecular weight of 473.98 g/mol. Its IUPAC name is 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol.

Molecular Properties

Compound Name4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol
PubChem CID18461212
Molecular FormulaC22H17ClFN3O2S2
Molecular Weight473.98 g/mol
Exact Mass473.04
IUPAC Name4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol
SMILESCS(=O)c1cc(Cl)cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccccn3)[nH]2)c1O
InChIInChI=1S/C22H17ClFN3O2S2/c1-31(29)18-11-15(23)10-14(21(18)28)12-30-22-26-19(13-5-7-16(24)8-6-13)20(27-22)17-4-2-3-9-25-17/h2-11,28H,12H2,1H3,(H,26,27)
InChIKeyLQJCVIKPWCYPDP-UHFFFAOYSA-N
XLogP5.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol?
The IUPAC name of 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol (CID 18461212) is 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol.
What is the SMILES notation for 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol?
The canonical SMILES for 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol is CS(=O)c1cc(Cl)cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccccn3)[nH]2)c1O.
What is the InChIKey of 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol?
The InChIKey is LQJCVIKPWCYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2S2/c1-31(29)18-11-15(23)10-14(21(18)28)12-30-22-26-19(13-5-7-16(24)8-6-13)20(27-22)17-4-2-3-9-25-17/h2-11,28H,12H2,1H3,(H,26,27).
What are the key properties of 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol?
4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol has a molecular weight of 473.98 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(4-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]sulfanylmethyl]-6-methylsulfinylphenol is sourced from PubChem (CID 18461212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).