4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one

C19H18FN3OS — CID 142830702

IUPAC4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one
SMILESCC(=O)CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C
InChIInChI=1S/C19H18FN3OS/c1-13(24)9-12-25-19-22-17(14-3-5-16(20)6-4-14)18(23(19)2)15-7-10-21-11-8-15/h3-8,10-11H,9,12H2,1-2H3
InChIKeyUGESDDOFJIUSOJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.36
Rot. Bonds6

About 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one

4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one (PubChem CID 142830702) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one
PubChem CID142830702
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one
SMILESCC(=O)CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C
InChIInChI=1S/C19H18FN3OS/c1-13(24)9-12-25-19-22-17(14-3-5-16(20)6-4-14)18(23(19)2)15-7-10-21-11-8-15/h3-8,10-11H,9,12H2,1-2H3
InChIKeyUGESDDOFJIUSOJ-UHFFFAOYSA-N
XLogP4.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 58752334
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one
CID 78812410
3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one
CID 58752315
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706
2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane
CID 118987751
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
4-[3-cyclopropyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridine
CID 11834344
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
4-(4-fluorophenyl)-5-pyridin-4-yltriazole-1-carbonyl chloride
CID 22726014
N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-3,4-dichlorobenzamide
CID 3900289

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one (CID 142830702) is 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one is CC(=O)CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1C.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one?
The InChIKey is UGESDDOFJIUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13(24)9-12-25-19-22-17(14-3-5-16(20)6-4-14)18(23(19)2)15-7-10-21-11-8-15/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one?
4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylbutan-2-one is sourced from PubChem (CID 142830702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).