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

C22H34N4O2S — CID 121477772

IUPAC1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2S/c1-4-22(2,3)18-8-10-20(11-9-18)29(27,28)26-13-12-23-21(26)25-16-14-24(15-17-25)19-6-5-7-19/h8-11,19H,4-7,12-17H2,1-3H3
InChIKeyVQVGCGUPVYRXPK-UHFFFAOYSA-N
MW418.61 g/mol
LogP2.90
Rot. Bonds5

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

1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477772) has the molecular formula C22H34N4O2S and a molecular weight of 418.61 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477772
Molecular FormulaC22H34N4O2S
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC Name1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H34N4O2S/c1-4-22(2,3)18-8-10-20(11-9-18)29(27,28)26-13-12-23-21(26)25-16-14-24(15-17-25)19-6-5-7-19/h8-11,19H,4-7,12-17H2,1-3H3
InChIKeyVQVGCGUPVYRXPK-UHFFFAOYSA-N
XLogP2.90
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477772) is 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CCC(C)(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is VQVGCGUPVYRXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2S/c1-4-22(2,3)18-8-10-20(11-9-18)29(27,28)26-13-12-23-21(26)25-16-14-24(15-17-25)19-6-5-7-19/h8-11,19H,4-7,12-17H2,1-3H3.
What are the key properties of 1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 418.61 g/mol, XLogP of 2.90, 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-(2-methylbutan-2-yl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).