1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine

C24H31FN4O2S — CID 166978199

IUPAC1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31FN4O2S/c1-26-12-17-29(24(26)28-15-13-27(14-16-28)22-6-3-7-22)32(30,31)23-10-8-19(9-11-23)20-4-2-5-21(25)18-20/h2,4-5,8-11,18,22,24H,3,6-7,12-17H2,1H3
InChIKeyYTXNWOIAPUYUPI-UHFFFAOYSA-N
MW458.60 g/mol
LogP2.88
Rot. Bonds5

About 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine

1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine (PubChem CID 166978199) has the molecular formula C24H31FN4O2S and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine
PubChem CID166978199
Molecular FormulaC24H31FN4O2S
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31FN4O2S/c1-26-12-17-29(24(26)28-15-13-27(14-16-28)22-6-3-7-22)32(30,31)23-10-8-19(9-11-23)20-4-2-5-21(25)18-20/h2,4-5,8-11,18,22,24H,3,6-7,12-17H2,1H3
InChIKeyYTXNWOIAPUYUPI-UHFFFAOYSA-N
XLogP2.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine (CID 166978199) is 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine is CN1CCN(S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine?
The InChIKey is YTXNWOIAPUYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2S/c1-26-12-17-29(24(26)28-15-13-27(14-16-28)22-6-3-7-22)32(30,31)23-10-8-19(9-11-23)20-4-2-5-21(25)18-20/h2,4-5,8-11,18,22,24H,3,6-7,12-17H2,1H3.
What are the key properties of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine has a molecular weight of 458.60 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine is sourced from PubChem (CID 166978199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).