1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine

C21H32N4O2S — CID 121477769

IUPAC1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2S/c1-21(2,3)17-7-9-19(10-8-17)28(26,27)25-12-11-22-20(25)24-15-13-23(14-16-24)18-5-4-6-18/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyHIJVQHCWYAHIDO-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine

1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine (PubChem CID 121477769) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine
PubChem CID121477769
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2S/c1-21(2,3)17-7-9-19(10-8-17)28(26,27)25-12-11-22-20(25)24-15-13-23(14-16-24)18-5-4-6-18/h7-10,18H,4-6,11-16H2,1-3H3
InChIKeyHIJVQHCWYAHIDO-UHFFFAOYSA-N
XLogP2.51
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine?
The IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine (CID 121477769) is 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine?
The InChIKey is HIJVQHCWYAHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-21(2,3)17-7-9-19(10-8-17)28(26,27)25-12-11-22-20(25)24-15-13-23(14-16-24)18-5-4-6-18/h7-10,18H,4-6,11-16H2,1-3H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine?
1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine has a molecular weight of 404.58 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-cyclobutylpiperazine is sourced from PubChem (CID 121477769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).