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

C23H36N4O2S — CID 121477841

IUPAC1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC(C)(C)C3)CC2)cc1
InChIInChI=1S/C23H36N4O2S/c1-18(2)19-5-7-21(8-6-19)30(28,29)27-12-11-24-22(27)26-15-13-25(14-16-26)20-9-10-23(3,4)17-20/h5-8,18,20H,9-17H2,1-4H3
InChIKeyMMHAOXQNDPJTLL-UHFFFAOYSA-N
MW432.63 g/mol
LogP3.37
Rot. Bonds4

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

1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477841) has the molecular formula C23H36N4O2S and a molecular weight of 432.63 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477841
Molecular FormulaC23H36N4O2S
Molecular Weight432.63 g/mol
Exact Mass432.26
IUPAC Name1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC(C)(C)C3)CC2)cc1
InChIInChI=1S/C23H36N4O2S/c1-18(2)19-5-7-21(8-6-19)30(28,29)27-12-11-24-22(27)26-15-13-25(14-16-26)20-9-10-23(3,4)17-20/h5-8,18,20H,9-17H2,1-4H3
InChIKeyMMHAOXQNDPJTLL-UHFFFAOYSA-N
XLogP3.37
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477841) is 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC(C)(C)C3)CC2)cc1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is MMHAOXQNDPJTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2S/c1-18(2)19-5-7-21(8-6-19)30(28,29)27-12-11-24-22(27)26-15-13-25(14-16-26)20-9-10-23(3,4)17-20/h5-8,18,20H,9-17H2,1-4H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 432.63 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).