1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C23H27FN4O2S — CID 121477853

IUPAC1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2cccc(F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H27FN4O2S/c24-20-4-1-3-19(17-20)18-7-9-22(10-8-18)31(29,30)28-12-11-25-23(28)27-15-13-26(14-16-27)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2
InChIKeyPRHHBGMIHGVDSI-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.02
Rot. Bonds4

About 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477853) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477853
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(-c2cccc(F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H27FN4O2S/c24-20-4-1-3-19(17-20)18-7-9-22(10-8-18)31(29,30)28-12-11-25-23(28)27-15-13-26(14-16-27)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2
InChIKeyPRHHBGMIHGVDSI-UHFFFAOYSA-N
XLogP3.02
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10202354, Example 60
CID 121477794
US10202354, Example 12
CID 121477799
US10202354, Example 4
CID 121477803
US10202354, Example 40
CID 121477818
US10202354, Example 11
CID 121477848
US10202354, Example 27
CID 121477855
US10202354, Example 25
CID 121477857
US10202354, Example 98
CID 121477833
US10202354, Example 107
CID 121477838
US10202354, Example 41
CID 121472695
US10202354, Example 38
CID 121472701
US10202354, Example 39
CID 121472723

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477853) is 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1ccc(-c2cccc(F)c2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is PRHHBGMIHGVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c24-20-4-1-3-19(17-20)18-7-9-22(10-8-18)31(29,30)28-12-11-25-23(28)27-15-13-26(14-16-27)21-5-2-6-21/h1,3-4,7-10,17,21H,2,5-6,11-16H2.
What are the key properties of 1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 442.56 g/mol, XLogP of 3.02, 4 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-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).