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

C20H20FN5OS — CID 51143718

IUPAC[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCN(c3ccccn3)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5OS/c1-28-20-23-14-17(26(20)16-7-5-15(21)6-8-16)19(27)25-12-10-24(11-13-25)18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3
InChIKeyFAGPJMHEDQVBAY-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.09
Rot. Bonds4

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

[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 51143718) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID51143718
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCSc1ncc(C(=O)N2CCN(c3ccccn3)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5OS/c1-28-20-23-14-17(26(20)16-7-5-15(21)6-8-16)19(27)25-12-10-24(11-13-25)18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3
InChIKeyFAGPJMHEDQVBAY-UHFFFAOYSA-N
XLogP3.09
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33180217
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
methyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362687
1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779326
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17480979
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878395
N-cyclopropyl-2-[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24642712
3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 55957769
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 166338856
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 51143718) is [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CSc1ncc(C(=O)N2CCN(c3ccccn3)CC2)n1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FAGPJMHEDQVBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-28-20-23-14-17(26(20)16-7-5-15(21)6-8-16)19(27)25-12-10-24(11-13-25)18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 51143718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).