1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one

C22H19ClFN3O2 — CID 58019930

IUPAC1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one
SMILESCOc1ccc(Cc2ccc(N3CCNC3=O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H19ClFN3O2/c1-29-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(26-13-14)27-10-9-25-22(27)28/h2-8,12-13H,9-11H2,1H3,(H,25,28)
InChIKeyWZOLGCFSIXEDTR-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.67
Rot. Bonds5

About 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one

1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58019930) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58019930
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one
SMILESCOc1ccc(Cc2ccc(N3CCNC3=O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H19ClFN3O2/c1-29-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(26-13-14)27-10-9-25-22(27)28/h2-8,12-13H,9-11H2,1H3,(H,25,28)
InChIKeyWZOLGCFSIXEDTR-UHFFFAOYSA-N
XLogP4.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one (CID 58019930) is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one is COc1ccc(Cc2ccc(N3CCNC3=O)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is WZOLGCFSIXEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c1-29-18-7-6-16(21(24)20(18)15-3-2-4-17(23)12-15)11-14-5-8-19(26-13-14)27-10-9-25-22(27)28/h2-8,12-13H,9-11H2,1H3,(H,25,28).
What are the key properties of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one?
1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 411.86 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58019930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).