4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine

C18H18FN3O2S — CID 10689819

IUPAC4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
SMILESCS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H18FN3O2S/c1-25(23,24)12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3
InChIKeyJUSVEWRLNMHNJO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.19
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine (PubChem CID 10689819) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
PubChem CID10689819
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine
SMILESCS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H18FN3O2S/c1-25(23,24)12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3
InChIKeyJUSVEWRLNMHNJO-UHFFFAOYSA-N
XLogP3.19
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zolimidine
CID 14652
Sb-203580
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SB-216995
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Adezmapimod, (S)-
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1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
Cbs-3595
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4-[5-(4-Fluorophenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-3H-imidazol-4-yl]pyridine
CID 9845197
5-[3-(1H-imidazol-1-yl)propyl]-7,8-dihydroquinoline
CID 10586086
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
SK&F 105809
CID 129725
1-Benzyl-2-phenyl-6,7-di-hydro-5h-imidazo[2,1-b][1,3]thiazinium bromide
CID 15420790

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine (CID 10689819) is 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine is CS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine?
The InChIKey is JUSVEWRLNMHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-25(23,24)12-2-11-22-13-21-17(14-3-5-16(19)6-4-14)18(22)15-7-9-20-10-8-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine has a molecular weight of 359.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(3-methylsulfonylpropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10689819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).