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

C24H25FN4O2 — CID 56943551

IUPAC1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O2/c25-19-6-10-22(11-7-19)31-21-8-4-18(5-9-21)23-3-1-2-20(28-23)12-13-26-14-16-29-17-15-27-24(29)30/h1-11,26H,12-17H2,(H,27,30)
InChIKeyZGKFNECQJUOYQP-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.84
Rot. Bonds9

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

1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one (PubChem CID 56943551) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one
PubChem CID56943551
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H25FN4O2/c25-19-6-10-22(11-7-19)31-21-8-4-18(5-9-21)23-3-1-2-20(28-23)12-13-26-14-16-29-17-15-27-24(29)30/h1-11,26H,12-17H2,(H,27,30)
InChIKeyZGKFNECQJUOYQP-UHFFFAOYSA-N
XLogP3.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.84
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-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one (CID 56943551) is 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one?
The InChIKey is ZGKFNECQJUOYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-6-10-22(11-7-19)31-21-8-4-18(5-9-21)23-3-1-2-20(28-23)12-13-26-14-16-29-17-15-27-24(29)30/h1-11,26H,12-17H2,(H,27,30).
What are the key properties of 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one has a molecular weight of 420.49 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]ethylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).