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

C17H19ClN6O5S — CID 23133574

IUPAC5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2cnc[nH]2)N1
InChIInChI=1S/C17H19ClN6O5S/c18-11-1-2-14(20-7-11)29-12-3-5-24(6-4-12)30(27,28)9-17(13-8-19-10-21-13)15(25)22-16(26)23-17/h1-2,7-8,10,12H,3-6,9H2,(H,19,21)(H2,22,23,25,26)
InChIKeyILFGLUVWGISQIB-UHFFFAOYSA-N
MW454.90 g/mol
LogP0.37
Rot. Bonds6

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

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione (PubChem CID 23133574) has the molecular formula C17H19ClN6O5S and a molecular weight of 454.90 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
PubChem CID23133574
Molecular FormulaC17H19ClN6O5S
Molecular Weight454.90 g/mol
Exact Mass454.08
IUPAC Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2cnc[nH]2)N1
InChIInChI=1S/C17H19ClN6O5S/c18-11-1-2-14(20-7-11)29-12-3-5-24(6-4-12)30(27,28)9-17(13-8-19-10-21-13)15(25)22-16(26)23-17/h1-2,7-8,10,12H,3-6,9H2,(H,19,21)(H2,22,23,25,26)
InChIKeyILFGLUVWGISQIB-UHFFFAOYSA-N
XLogP0.37
TPSA146.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione (CID 23133574) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)(c2cnc[nH]2)N1.
What is the InChIKey of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The InChIKey is ILFGLUVWGISQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O5S/c18-11-1-2-14(20-7-11)29-12-3-5-24(6-4-12)30(27,28)9-17(13-8-19-10-21-13)15(25)22-16(26)23-17/h1-2,7-8,10,12H,3-6,9H2,(H,19,21)(H2,22,23,25,26).
What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione has a molecular weight of 454.90 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 23133574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).