[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

C24H27FN4O3S — CID 25486840

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C24H27FN4O3S/c1-16-13-17(2)19(4)23(18(16)3)33(31,32)28-11-9-27(10-12-28)24(30)22-14-26-15-29(22)21-7-5-20(25)6-8-21/h5-8,13-15H,9-12H2,1-4H3
InChIKeyVURNQWHBJBKIMH-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.39
Rot. Bonds4

About [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 25486840) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID25486840
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C24H27FN4O3S/c1-16-13-17(2)19(4)23(18(16)3)33(31,32)28-11-9-27(10-12-28)24(30)22-14-26-15-29(22)21-7-5-20(25)6-8-21/h5-8,13-15H,9-12H2,1-4H3
InChIKeyVURNQWHBJBKIMH-UHFFFAOYSA-N
XLogP3.39
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
[3-(4-fluorophenyl)imidazol-4-yl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24515294
2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55630322
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119576959
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
(2-chloro-4-pyridinyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 32695876

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 25486840) is [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VURNQWHBJBKIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-16-13-17(2)19(4)23(18(16)3)33(31,32)28-11-9-27(10-12-28)24(30)22-14-26-15-29(22)21-7-5-20(25)6-8-21/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 470.57 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 25486840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).