1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one

C25H33N3O3S — CID 53083205

IUPAC1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-25(2,3)21-9-11-23(12-10-21)32(30,31)27-15-13-22(14-16-27)28-18-17-26(24(28)29)19-20-7-5-4-6-8-20/h4-12,22H,13-19H2,1-3H3
InChIKeyLPJSEGGQLUFCPX-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one

1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 53083205) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
PubChem CID53083205
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-25(2,3)21-9-11-23(12-10-21)32(30,31)27-15-13-22(14-16-27)28-18-17-26(24(28)29)19-20-7-5-4-6-8-20/h4-12,22H,13-19H2,1-3H3
InChIKeyLPJSEGGQLUFCPX-UHFFFAOYSA-N
XLogP4.07
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
1-[1-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperidin-4-yl]-3-benzylimidazolidin-2-one
CID 176770004
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083148
1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
CID 53083145
2-benzyl-5-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121117551
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
CID 55857681
N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 53083190
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 53083252

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one (CID 53083205) is 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is LPJSEGGQLUFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-25(2,3)21-9-11-23(12-10-21)32(30,31)27-15-13-22(14-16-27)28-18-17-26(24(28)29)19-20-7-5-4-6-8-20/h4-12,22H,13-19H2,1-3H3.
What are the key properties of 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 455.62 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 53083205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).