[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone

C16H18FN3O2S — CID 110878395

IUPAC[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCCC(O)C2)n1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2S/c1-23-16-18-9-14(15(22)19-8-2-3-13(21)10-19)20(16)12-6-4-11(17)5-7-12/h4-7,9,13,21H,2-3,8,10H2,1H3
InChIKeyAHPVTYWSBHTTDI-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.33
Rot. Bonds3

About [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone

[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 110878395) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID110878395
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCCC(O)C2)n1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2S/c1-23-16-18-9-14(15(22)19-8-2-3-13(21)10-19)20(16)12-6-4-11(17)5-7-12/h4-7,9,13,21H,2-3,8,10H2,1H3
InChIKeyAHPVTYWSBHTTDI-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779326
[1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33180217
N-cyclopropyl-2-[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24642712
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 166338856
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143718
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167759741
3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
CID 78809507
methyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362687
3-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylsulfanylimidazole-4-carboxamide
CID 38199545
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833858
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 110878395) is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone is CSc1ncc(C(=O)N2CCCC(O)C2)n1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is AHPVTYWSBHTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-23-16-18-9-14(15(22)19-8-2-3-13(21)10-19)20(16)12-6-4-11(17)5-7-12/h4-7,9,13,21H,2-3,8,10H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone?
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110878395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).