1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one

C22H21ClFN3O3 — CID 42610807

IUPAC1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one
SMILESCOc1ccc(CC2=CC=C(N3CCNC3=O)N(O)C2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H21ClFN3O3/c1-30-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(27(29)13-14)26-10-9-25-22(26)28/h2-8,12,29H,9-11,13H2,1H3,(H,25,28)
InChIKeyDECXSCDPPLGFAG-UHFFFAOYSA-N
MW429.88 g/mol
LogP4.20
Rot. Bonds5

About 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one

1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one (PubChem CID 42610807) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one
PubChem CID42610807
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one
SMILESCOc1ccc(CC2=CC=C(N3CCNC3=O)N(O)C2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H21ClFN3O3/c1-30-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(27(29)13-14)26-10-9-25-22(26)28/h2-8,12,29H,9-11,13H2,1H3,(H,25,28)
InChIKeyDECXSCDPPLGFAG-UHFFFAOYSA-N
XLogP4.20
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]methyl]-3-ethylurea
CID 42610873
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
CID 58020028
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
1-[(2R)-1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]azetidin-2-yl]ethanone
CID 58020277
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
CID 70228503
3-amino-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenol;3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-5-nitrophenol
CID 159113776
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]piperidine-2-carboxylic acid;piperidine-2-carboxylic acid
CID 158063012
2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
CID 58020359
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
CID 160583131
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one?
The IUPAC name of 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one (CID 42610807) is 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one is COc1ccc(CC2=CC=C(N3CCNC3=O)N(O)C2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one?
The InChIKey is DECXSCDPPLGFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-30-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(27(29)13-14)26-10-9-25-22(26)28/h2-8,12,29H,9-11,13H2,1H3,(H,25,28).
What are the key properties of 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one?
1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one has a molecular weight of 429.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one is sourced from PubChem (CID 42610807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).