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

C24H23F3N4O2 — CID 56943524

IUPAC1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)18-6-10-21(11-7-18)33-20-8-4-17(5-9-20)22-3-1-2-19(30-22)16-28-12-14-31-15-13-29-23(31)32/h1-11,28H,12-16H2,(H,29,32)
InChIKeyLOLVIHWDRHQBTB-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.67
Rot. Bonds8

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

1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 56943524) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
PubChem CID56943524
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)18-6-10-21(11-7-18)33-20-8-4-17(5-9-20)22-3-1-2-19(30-22)16-28-12-14-31-15-13-29-23(31)32/h1-11,28H,12-16H2,(H,29,32)
InChIKeyLOLVIHWDRHQBTB-UHFFFAOYSA-N
XLogP4.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.67
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-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one (CID 56943524) is 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is LOLVIHWDRHQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-24(26,27)18-6-10-21(11-7-18)33-20-8-4-17(5-9-20)22-3-1-2-19(30-22)16-28-12-14-31-15-13-29-23(31)32/h1-11,28H,12-16H2,(H,29,32).
What are the key properties of 1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 456.47 g/mol, XLogP of 4.67, 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-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56943524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).