[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

C15H17FN4O3S — CID 100819637

IUPAC[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C15H17FN4O3S/c1-24(22,23)20-8-6-18(7-9-20)15(21)14-10-19(11-17-14)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyRMEZSNYNYRHGOP-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.73
Rot. Bonds3

About [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 100819637) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID100819637
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C15H17FN4O3S/c1-24(22,23)20-8-6-18(7-9-20)15(21)14-10-19(11-17-14)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyRMEZSNYNYRHGOP-UHFFFAOYSA-N
XLogP0.73
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 100816296
(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
CID 100816398
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 100816402
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916386
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 105386166

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 100819637) is [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RMEZSNYNYRHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c1-24(22,23)20-8-6-18(7-9-20)15(21)14-10-19(11-17-14)13-4-2-12(16)3-5-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 100819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).