1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one

C23H23FN4O2 — CID 56943550

IUPAC1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H23FN4O2/c24-18-6-10-21(11-7-18)30-20-8-4-17(5-9-20)22-3-1-2-19(27-22)16-25-12-14-28-15-13-26-23(28)29/h1-11,25H,12-16H2,(H,26,29)
InChIKeyIQWFDZWZIFXFTE-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.79
Rot. Bonds8

About 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 56943550) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
PubChem CID56943550
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H23FN4O2/c24-18-6-10-21(11-7-18)30-20-8-4-17(5-9-20)22-3-1-2-19(27-22)16-25-12-14-28-15-13-26-23(28)29/h1-11,25H,12-16H2,(H,26,29)
InChIKeyIQWFDZWZIFXFTE-UHFFFAOYSA-N
XLogP3.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one (CID 56943550) is 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is IQWFDZWZIFXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-6-10-21(11-7-18)30-20-8-4-17(5-9-20)22-3-1-2-19(27-22)16-25-12-14-28-15-13-26-23(28)29/h1-11,25H,12-16H2,(H,26,29).
What are the key properties of 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 406.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).