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

C20H28N4O2S — CID 121477809

IUPAC1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(C2CC2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,19-8-6-17(7-9-19)16-4-5-16)24-11-10-21-20(24)23-14-12-22(13-15-23)18-2-1-3-18/h6-9,16,18H,1-5,10-15H2
InChIKeyQLKHAYOVBMNNDH-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.09
Rot. Bonds4

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

1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477809) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477809
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESO=S(=O)(c1ccc(C2CC2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,19-8-6-17(7-9-19)16-4-5-16)24-11-10-21-20(24)23-14-12-22(13-15-23)18-2-1-3-18/h6-9,16,18H,1-5,10-15H2
InChIKeyQLKHAYOVBMNNDH-UHFFFAOYSA-N
XLogP2.09
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)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-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477809) is 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is O=S(=O)(c1ccc(C2CC2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is QLKHAYOVBMNNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c25-27(26,19-8-6-17(7-9-19)16-4-5-16)24-11-10-21-20(24)23-14-12-22(13-15-23)18-2-1-3-18/h6-9,16,18H,1-5,10-15H2.
What are the key properties of 1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(4-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 388.54 g/mol, XLogP of 2.09, 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-cyclopropylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).