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

C21H23F2N5O3 — CID 121162712

IUPAC1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)CC2)n1
InChIInChI=1S/C21H23F2N5O3/c1-14-24-7-4-19(25-14)31-16-5-8-26(9-6-16)20(29)13-27-10-11-28(21(27)30)15-2-3-17(22)18(23)12-15/h2-4,7,12,16H,5-6,8-11,13H2,1H3
InChIKeyAIBZLJMCXFJCIR-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.38
Rot. Bonds5

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

1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 121162712) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID121162712
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)CC2)n1
InChIInChI=1S/C21H23F2N5O3/c1-14-24-7-4-19(25-14)31-16-5-8-26(9-6-16)20(29)13-27-10-11-28(21(27)30)15-2-3-17(22)18(23)12-15/h2-4,7,12,16H,5-6,8-11,13H2,1H3
InChIKeyAIBZLJMCXFJCIR-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162711
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
CID 121161021
1-(3,4-difluorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypiperidin-1-yl)ethyl]imidazolidin-2-one
CID 122260008
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
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
1-(3-chlorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 122243384
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
1-(3,4-difluorophenyl)-3-[2-[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]-2-oxoethyl]imidazolidin-2-one
CID 90631873
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 121162712) is 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is Cc1nccc(OC2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)CC2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is AIBZLJMCXFJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-14-24-7-4-19(25-14)31-16-5-8-26(9-6-16)20(29)13-27-10-11-28(21(27)30)15-2-3-17(22)18(23)12-15/h2-4,7,12,16H,5-6,8-11,13H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-(3,4-difluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 431.44 g/mol, XLogP of 2.38, 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-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 121162712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).