1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one

C20H21BrFN5O3 — CID 122259064

IUPAC1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESO=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C20H21BrFN5O3/c21-14-10-23-19(24-11-14)30-17-2-1-7-25(12-17)18(28)13-26-8-9-27(20(26)29)16-5-3-15(22)4-6-16/h3-6,10-11,17H,1-2,7-9,12-13H2
InChIKeyPIBNNJBLEAORAY-UHFFFAOYSA-N
MW478.32 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one

1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one (PubChem CID 122259064) has the molecular formula C20H21BrFN5O3 and a molecular weight of 478.32 g/mol. Its IUPAC name is 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
PubChem CID122259064
Molecular FormulaC20H21BrFN5O3
Molecular Weight478.32 g/mol
Exact Mass477.08
IUPAC Name1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
SMILESO=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C20H21BrFN5O3/c21-14-10-23-19(24-11-14)30-17-2-1-7-25(12-17)18(28)13-26-8-9-27(20(26)29)16-5-3-15(22)4-6-16/h3-6,10-11,17H,1-2,7-9,12-13H2
InChIKeyPIBNNJBLEAORAY-UHFFFAOYSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one with MolForge

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Related Compounds

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-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
CID 121018069
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
CID 122260008
1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 122258750
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 122258729
2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633456
1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162711
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122268238
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one (CID 122259064) is 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one is O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
The InChIKey is PIBNNJBLEAORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN5O3/c21-14-10-23-19(24-11-14)30-17-2-1-7-25(12-17)18(28)13-26-8-9-27(20(26)29)16-5-3-15(22)4-6-16/h3-6,10-11,17H,1-2,7-9,12-13H2.
What are the key properties of 1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one?
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one has a molecular weight of 478.32 g/mol, XLogP of 2.69, 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-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 122259064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).