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

C21H24FN5O3 — CID 121162711

IUPAC1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C21H24FN5O3/c1-15-23-9-6-19(24-15)30-18-7-10-25(11-8-18)20(28)14-26-12-13-27(21(26)29)17-4-2-16(22)3-5-17/h2-6,9,18H,7-8,10-14H2,1H3
InChIKeyZQEKSHXJIIKECT-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.24
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 121162711) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID121162711
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1
InChIInChI=1S/C21H24FN5O3/c1-15-23-9-6-19(24-15)30-18-7-10-25(11-8-18)20(28)14-26-12-13-27(21(26)29)17-4-2-16(22)3-5-17/h2-6,9,18H,7-8,10-14H2,1H3
InChIKeyZQEKSHXJIIKECT-UHFFFAOYSA-N
XLogP2.24
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162712
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
CID 121161021
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
1-(4-methylphenyl)-3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 100738571
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 90638848
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634935
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 122259064
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 121162711) is 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is Cc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)cc4)C3=O)CC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is ZQEKSHXJIIKECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-15-23-9-6-19(24-15)30-18-7-10-25(11-8-18)20(28)14-26-12-13-27(21(26)29)17-4-2-16(22)3-5-17/h2-6,9,18H,7-8,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 413.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 121162711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).