1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one

C26H26ClFN4O2 — CID 171795908

IUPAC1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4ccnc(N5CCCCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H26ClFN4O2/c1-30-11-12-32(26(30)34)23-6-5-17(13-22(23)27)20-15-19(28)16-21(25(20)33)18-7-8-29-24(14-18)31-9-3-2-4-10-31/h5-8,13-16,33H,2-4,9-12H2,1H3
InChIKeyKYEWOKFZBDYMAJ-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.78
Rot. Bonds4

About 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one

1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 171795908) has the molecular formula C26H26ClFN4O2 and a molecular weight of 480.97 g/mol. Its IUPAC name is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one
PubChem CID171795908
Molecular FormulaC26H26ClFN4O2
Molecular Weight480.97 g/mol
Exact Mass480.17
IUPAC Name1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cc(F)cc(-c4ccnc(N5CCCCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C26H26ClFN4O2/c1-30-11-12-32(26(30)34)23-6-5-17(13-22(23)27)20-15-19(28)16-21(25(20)33)18-7-8-29-24(14-18)31-9-3-2-4-10-31/h5-8,13-16,33H,2-4,9-12H2,1H3
InChIKeyKYEWOKFZBDYMAJ-UHFFFAOYSA-N
XLogP5.78
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[2-(3-aminopiperidin-1-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazolidin-2-one
CID 166166803
tert-butyl 4-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-methoxyphenyl]-2-pyridinyl]piperazine-1-carboxylate
CID 166165996
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[4-(hydroxymethyl)-3-piperazin-1-ylphenyl]phenyl]phenyl]-3-methylimidazolidin-2-one
CID 166166610
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[6-(2-hydroxyethoxy)-5-piperazin-1-yl-3-pyridinyl]phenyl]phenyl]-3-methylimidazolidin-2-one
CID 166165848
3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-1,3-oxazol-2-one
CID 166165771
5-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-piperidin-4-ylpyridin-2-one
CID 166166388
(4S)-3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-4-methoxy-1,3-oxazolidin-2-one
CID 166166671
1-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-pyridinyl]piperazin-2-one
CID 166166034
1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
CID 166166003
tert-butyl 4-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-2-methoxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine-1-carboxylate
CID 166167193
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
CID 166165564
1-[2-chloro-4-[3-[2-(1,4-diazacyclohept-5-yn-1-yl)-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
CID 166166329

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one (CID 171795908) is 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(-c3cc(F)cc(-c4ccnc(N5CCCCC5)c4)c3O)cc2Cl)C1=O.
What is the InChIKey of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is KYEWOKFZBDYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O2/c1-30-11-12-32(26(30)34)23-6-5-17(13-22(23)27)20-15-19(28)16-21(25(20)33)18-7-8-29-24(14-18)31-9-3-2-4-10-31/h5-8,13-16,33H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one?
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 480.97 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperidin-1-yl-4-pyridinyl)phenyl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 171795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).