1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one

C20H21F2N5O3 — CID 122260008

IUPAC1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C20H21F2N5O3/c21-16-4-3-14(10-17(16)22)27-9-8-26(20(27)29)12-19(28)25-7-1-2-15(11-25)30-18-5-6-23-13-24-18/h3-6,10,13,15H,1-2,7-9,11-12H2
InChIKeyPOOKBPAUVQFZOW-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.07
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one

1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 122260008) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID122260008
Molecular FormulaC20H21F2N5O3
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC Name1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C20H21F2N5O3/c21-16-4-3-14(10-17(16)22)27-9-8-26(20(27)29)12-19(28)25-7-1-2-15(11-25)30-18-5-6-23-13-24-18/h3-6,10,13,15H,1-2,7-9,11-12H2
InChIKeyPOOKBPAUVQFZOW-UHFFFAOYSA-N
XLogP2.07
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
1-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-phenylimidazolidin-2-one
CID 121018069
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 122259062
4-[1-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256987
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(2-fluorophenyl)imidazolidin-2-one
CID 122259063
1-(4-methylphenyl)-3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 100738571
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one (CID 122260008) is 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one is O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is POOKBPAUVQFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3/c21-16-4-3-14(10-17(16)22)27-9-8-26(20(27)29)12-19(28)25-7-1-2-15(11-25)30-18-5-6-23-13-24-18/h3-6,10,13,15H,1-2,7-9,11-12H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one?
1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 417.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 122260008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).