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

C20H30N4O2S — CID 121477813

IUPAC1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-16(2)17-6-8-19(9-7-17)27(25,26)24-11-10-21-20(24)23-14-12-22(13-15-23)18-4-3-5-18/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyYXXWVBAOWUNKAZ-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.34
Rot. Bonds4

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

1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477813) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477813
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-16(2)17-6-8-19(9-7-17)27(25,26)24-11-10-21-20(24)23-14-12-22(13-15-23)18-4-3-5-18/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyYXXWVBAOWUNKAZ-UHFFFAOYSA-N
XLogP2.34
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477841
1-cyclobutyl-4-[1-[4-(2-methoxyphenyl)phenyl]sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477852
1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 53072037
5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole
CID 121477871
6-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-2-methyl-1,3-benzothiazole;ethane
CID 145118181
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
1-(4-ethylphenyl)sulfonyl-2-pyrrolidin-1-yl-4,5-dihydroimidazole
CID 53071989
1-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperidine
CID 158425954
2-(4-cyclohexylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
CID 50840620
N-[2-chloro-4-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide;1-cyclobutyl-4-[1-(6-methylnaphthalen-2-yl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine;5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylbenzimidazole;6-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-2-methyl-1,3-benzothiazole;5-[[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]sulfonyl]-1-methylindole;1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine
CID 160545940
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 3192450
1-cyclobutyl-4-[4-cyclopropyl-1-(4-propan-2-ylphenyl)sulfanyl-4,5-dihydroimidazol-2-yl]piperazine
CID 145118219

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477813) is 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is YXXWVBAOWUNKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-16(2)17-6-8-19(9-7-17)27(25,26)24-11-10-21-20(24)23-14-12-22(13-15-23)18-4-3-5-18/h6-9,16,18H,3-5,10-15H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 390.55 g/mol, XLogP of 2.34, 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-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).