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

C20H21Cl2N5O3 — CID 122259541

IUPAC1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C20H21Cl2N5O3/c21-14-3-1-4-16(9-14)27-8-7-26(20(27)29)13-18(28)25-6-2-5-17(12-25)30-19-23-10-15(22)11-24-19/h1,3-4,9-11,17H,2,5-8,12-13H2
InChIKeyJRMDZAODFYMZDL-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.10
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 122259541) has the molecular formula C20H21Cl2N5O3 and a molecular weight of 450.33 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID122259541
Molecular FormulaC20H21Cl2N5O3
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC Name1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C20H21Cl2N5O3/c21-14-3-1-4-16(9-14)27-8-7-26(20(27)29)13-18(28)25-6-2-5-17(12-25)30-19-23-10-15(22)11-24-19/h1,3-4,9-11,17H,2,5-8,12-13H2
InChIKeyJRMDZAODFYMZDL-UHFFFAOYSA-N
XLogP3.10
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
CID 121018069
1-(3-chlorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 122243384
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
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)imidazolidin-2-one
CID 122259063
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
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)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-(3-chlorophenyl)propan-1-one
CID 122259026
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122259243
3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
CID 122259581

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 122259541) is 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is JRMDZAODFYMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3/c21-14-3-1-4-16(9-14)27-8-7-26(20(27)29)13-18(28)25-6-2-5-17(12-25)30-19-23-10-15(22)11-24-19/h1,3-4,9-11,17H,2,5-8,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 450.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 122259541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).