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

C22H18FN3S2 — CID 10884047

IUPAC4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCSc1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1
InChIInChI=1S/C22H18FN3S2/c1-27-19-4-2-3-15(13-19)14-28-22-25-20(16-5-7-18(23)8-6-16)21(26-22)17-9-11-24-12-10-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyASBZBKYBILPACG-UHFFFAOYSA-N
MW407.54 g/mol
LogP6.29
Rot. Bonds6

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

4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine (PubChem CID 10884047) has the molecular formula C22H18FN3S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
PubChem CID10884047
Molecular FormulaC22H18FN3S2
Molecular Weight407.54 g/mol
Exact Mass407.09
IUPAC Name4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine
SMILESCSc1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1
InChIInChI=1S/C22H18FN3S2/c1-27-19-4-2-3-15(13-19)14-28-22-25-20(16-5-7-18(23)8-6-16)21(26-22)17-9-11-24-12-10-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyASBZBKYBILPACG-UHFFFAOYSA-N
XLogP6.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 176155
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{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
Disuprazole
CID 65861
ML-3403
CID 6419739
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838
4-[5-(4-Fluorophenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-3H-imidazol-4-yl]pyridine
CID 9845197
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine
CID 9841863
4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole
CID 667570
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
CID 778306
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine (CID 10884047) is 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine is CSc1cccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is ASBZBKYBILPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3S2/c1-27-19-4-2-3-15(13-19)14-28-22-25-20(16-5-7-18(23)8-6-16)21(26-22)17-9-11-24-12-10-17/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 407.54 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10884047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).