5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione

C20H23ClN6O5S — CID 66850582

IUPAC5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ncccn2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1
InChIInChI=1S/C20H23ClN6O5S/c21-14-2-3-17(24-12-14)32-15-5-10-27(11-6-15)33(30,31)13-20(18(28)25-19(29)26-20)7-4-16-22-8-1-9-23-16/h1-3,8-9,12,15H,4-7,10-11,13H2,(H2,25,26,28,29)
InChIKeyCMKYNWWFTQYSKI-UHFFFAOYSA-N
MW494.96 g/mol
LogP0.91
Rot. Bonds8

About 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 66850582) has the molecular formula C20H23ClN6O5S and a molecular weight of 494.96 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID66850582
Molecular FormulaC20H23ClN6O5S
Molecular Weight494.96 g/mol
Exact Mass494.11
IUPAC Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ncccn2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1
InChIInChI=1S/C20H23ClN6O5S/c21-14-2-3-17(24-12-14)32-15-5-10-27(11-6-15)33(30,31)13-20(18(28)25-19(29)26-20)7-4-16-22-8-1-9-23-16/h1-3,8-9,12,15H,4-7,10-11,13H2,(H2,25,26,28,29)
InChIKeyCMKYNWWFTQYSKI-UHFFFAOYSA-N
XLogP0.91
TPSA143.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione (CID 66850582) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCc2ncccn2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1.
What is the InChIKey of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is CMKYNWWFTQYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O5S/c21-14-2-3-17(24-12-14)32-15-5-10-27(11-6-15)33(30,31)13-20(18(28)25-19(29)26-20)7-4-16-22-8-1-9-23-16/h1-3,8-9,12,15H,4-7,10-11,13H2,(H2,25,26,28,29).
What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione?
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 494.96 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 66850582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).