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

C21H16FN3OS — CID 10287180

IUPAC4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1
InChIInChI=1S/C21H16FN3OS/c1-27(26)18-4-2-3-16(13-18)21-24-19(14-5-7-17(22)8-6-14)20(25-21)15-9-11-23-12-10-15/h2-13H,1H3,(H,24,25)
InChIKeyRWCZEVLEBFONQN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.68
Rot. Bonds4

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

4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10287180) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10287180
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCS(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1
InChIInChI=1S/C21H16FN3OS/c1-27(26)18-4-2-3-16(13-18)21-24-19(14-5-7-17(22)8-6-14)20(25-21)15-9-11-23-12-10-15/h2-13H,1H3,(H,24,25)
InChIKeyRWCZEVLEBFONQN-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine (CID 10287180) is 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine is CS(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is RWCZEVLEBFONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-27(26)18-4-2-3-16(13-18)21-24-19(14-5-7-17(22)8-6-14)20(25-21)15-9-11-23-12-10-15/h2-13H,1H3,(H,24,25).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 377.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(3-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10287180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).