1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C22H27ClN4O2S — CID 53072037

IUPAC1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN4O2S/c1-17(2)18-6-8-21(9-7-18)30(28,29)27-11-10-24-22(27)26-14-12-25(13-15-26)20-5-3-4-19(23)16-20/h3-9,16-17H,10-15H2,1-2H3
InChIKeyTUIIAXSDEQFQHA-UHFFFAOYSA-N
MW447.00 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 53072037) has the molecular formula C22H27ClN4O2S and a molecular weight of 447.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID53072037
Molecular FormulaC22H27ClN4O2S
Molecular Weight447.00 g/mol
Exact Mass446.15
IUPAC Name1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H27ClN4O2S/c1-17(2)18-6-8-21(9-7-18)30(28,29)27-11-10-24-22(27)26-14-12-25(13-15-26)20-5-3-4-19(23)16-20/h3-9,16-17H,10-15H2,1-2H3
InChIKeyTUIIAXSDEQFQHA-UHFFFAOYSA-N
XLogP3.65
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477813
1-(3-chlorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)piperazine
CID 113076262
ethyl 5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-3-methyl-1-benzofuran-2-carboxylate
CID 22421342
1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
CID 121477841
2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
CID 53490612
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)cyclobut-3-ene-1,2-dione
CID 22551540
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200218
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 53072037) is 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is TUIIAXSDEQFQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2S/c1-17(2)18-6-8-21(9-7-18)30(28,29)27-11-10-24-22(27)26-14-12-25(13-15-26)20-5-3-4-19(23)16-20/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 447.00 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 53072037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).