1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one

C20H22ClN5O3 — CID 121018069

IUPAC1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
SMILESO=C(CN1CCN(c2ccccc2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C20H22ClN5O3/c21-15-11-22-19(23-12-15)29-17-7-4-8-24(13-17)18(27)14-25-9-10-26(20(25)28)16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-14H2
InChIKeyFFAZQHJHKFQIIS-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one

1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one (PubChem CID 121018069) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
PubChem CID121018069
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
SMILESO=C(CN1CCN(c2ccccc2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C20H22ClN5O3/c21-15-11-22-19(23-12-15)29-17-7-4-8-24(13-17)18(27)14-25-9-10-26(20(25)28)16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-14H2
InChIKeyFFAZQHJHKFQIIS-UHFFFAOYSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 122259064
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 122259062
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)imidazolidin-2-one
CID 122259063
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122259243
1-(3-chlorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 122243384
1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
CID 122260008
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797
3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
CID 122259581
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one (CID 121018069) is 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one is O=C(CN1CCN(c2ccccc2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one?
The InChIKey is FFAZQHJHKFQIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c21-15-11-22-19(23-12-15)29-17-7-4-8-24(13-17)18(27)14-25-9-10-26(20(25)28)16-5-2-1-3-6-16/h1-3,5-6,11-12,17H,4,7-10,13-14H2.
What are the key properties of 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one?
1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one has a molecular weight of 415.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 121018069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).