3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine

C16H14FN3OS — CID 59384918

IUPAC3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
SMILESCS(=O)Cc1[nH]c(-c2ccc(F)cc2)nc1-c1cccnc1
InChIInChI=1S/C16H14FN3OS/c1-22(21)10-14-15(12-3-2-8-18-9-12)20-16(19-14)11-4-6-13(17)7-5-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyXDIZWUFASWUJCP-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.16
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine

3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine (PubChem CID 59384918) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
PubChem CID59384918
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine
SMILESCS(=O)Cc1[nH]c(-c2ccc(F)cc2)nc1-c1cccnc1
InChIInChI=1S/C16H14FN3OS/c1-22(21)10-14-15(12-3-2-8-18-9-12)20-16(19-14)11-4-6-13(17)7-5-11/h2-9H,10H2,1H3,(H,19,20)
InChIKeyXDIZWUFASWUJCP-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine?
The IUPAC name of 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine (CID 59384918) is 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine is CS(=O)Cc1[nH]c(-c2ccc(F)cc2)nc1-c1cccnc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine?
The InChIKey is XDIZWUFASWUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-22(21)10-14-15(12-3-2-8-18-9-12)20-16(19-14)11-4-6-13(17)7-5-11/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine?
3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine has a molecular weight of 315.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-5-(methylsulfinylmethyl)-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 59384918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).