5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione

C20H25ClN6O5S — CID 142664152

IUPAC5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCn2ccnc2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1
InChIInChI=1S/C20H25ClN6O5S/c21-15-2-3-17(23-12-15)32-16-4-9-27(10-5-16)33(30,31)13-20(18(28)24-19(29)25-20)6-1-8-26-11-7-22-14-26/h2-3,7,11-12,14,16H,1,4-6,8-10,13H2,(H2,24,25,28,29)
InChIKeyCBVYWRBGNIMYCV-UHFFFAOYSA-N
MW496.98 g/mol
LogP1.16
Rot. Bonds9

About 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione (PubChem CID 142664152) has the molecular formula C20H25ClN6O5S and a molecular weight of 496.98 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione
PubChem CID142664152
Molecular FormulaC20H25ClN6O5S
Molecular Weight496.98 g/mol
Exact Mass496.13
IUPAC Name5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCn2ccnc2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1
InChIInChI=1S/C20H25ClN6O5S/c21-15-2-3-17(23-12-15)32-16-4-9-27(10-5-16)33(30,31)13-20(18(28)24-19(29)25-20)6-1-8-26-11-7-22-14-26/h2-3,7,11-12,14,16H,1,4-6,8-10,13H2,(H2,24,25,28,29)
InChIKeyCBVYWRBGNIMYCV-UHFFFAOYSA-N
XLogP1.16
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 23133566
tert-butyl 4-[4-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxylate
CID 66850714
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451
5-[[4-[(5-bromo-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133436
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpropan-2-one
CID 23133619
5-[[4-(4-chlorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133502
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione
CID 68683199
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
CID 91593916
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
CID 70111198
5-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133575

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione (CID 142664152) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCCn2ccnc2)(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-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione?
The InChIKey is CBVYWRBGNIMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O5S/c21-15-2-3-17(23-12-15)32-16-4-9-27(10-5-16)33(30,31)13-20(18(28)24-19(29)25-20)6-1-8-26-11-7-22-14-26/h2-3,7,11-12,14,16H,1,4-6,8-10,13H2,(H2,24,25,28,29).
What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione?
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione has a molecular weight of 496.98 g/mol, XLogP of 1.16, 9 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-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 142664152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).