5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C28H32N4O2S — CID 45247531

IUPAC5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(CN2CCC(C3(c4ccccn4)NC(=O)N(CCc4cccs4)C3=O)CC2)c1
InChIInChI=1S/C28H32N4O2S/c1-20-16-21(2)18-22(17-20)19-31-12-8-23(9-13-31)28(25-7-3-4-11-29-25)26(33)32(27(34)30-28)14-10-24-6-5-15-35-24/h3-7,11,15-18,23H,8-10,12-14,19H2,1-2H3,(H,30,34)
InChIKeyLJZGXCAKJLBKHP-UHFFFAOYSA-N
MW488.66 g/mol
LogP4.66
Rot. Bonds7

About 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45247531) has the molecular formula C28H32N4O2S and a molecular weight of 488.66 g/mol. Its IUPAC name is 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
PubChem CID45247531
Molecular FormulaC28H32N4O2S
Molecular Weight488.66 g/mol
Exact Mass488.22
IUPAC Name5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(CN2CCC(C3(c4ccccn4)NC(=O)N(CCc4cccs4)C3=O)CC2)c1
InChIInChI=1S/C28H32N4O2S/c1-20-16-21(2)18-22(17-20)19-31-12-8-23(9-13-31)28(25-7-3-4-11-29-25)26(33)32(27(34)30-28)14-10-24-6-5-15-35-24/h3-7,11,15-18,23H,8-10,12-14,19H2,1-2H3,(H,30,34)
InChIKeyLJZGXCAKJLBKHP-UHFFFAOYSA-N
XLogP4.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277499
(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42276807
(5R)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42433066
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25306030
(5R)-5-[1-[(2S)-1-methylpiperidine-2-carbonyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 98570664
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45226771
(5R)-5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42472790
(5S)-5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42484741
(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42440096
(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45180616
(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42397859

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 45247531) is 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is Cc1cc(C)cc(CN2CCC(C3(c4ccccn4)NC(=O)N(CCc4cccs4)C3=O)CC2)c1.
What is the InChIKey of 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is LJZGXCAKJLBKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S/c1-20-16-21(2)18-22(17-20)19-31-12-8-23(9-13-31)28(25-7-3-4-11-29-25)26(33)32(27(34)30-28)14-10-24-6-5-15-35-24/h3-7,11,15-18,23H,8-10,12-14,19H2,1-2H3,(H,30,34).
What are the key properties of 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 488.66 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45247531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).