1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one

C13H16F3N3O — CID 62880616

IUPAC1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-4-2-1-3-10(11)9-17-5-7-19-8-6-18-12(19)20/h1-4,17H,5-9H2,(H,18,20)
InChIKeyJMATUSROCDUJFU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one

1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one (PubChem CID 62880616) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
PubChem CID62880616
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-4-2-1-3-10(11)9-17-5-7-19-8-6-18-12(19)20/h1-4,17H,5-9H2,(H,18,20)
InChIKeyJMATUSROCDUJFU-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one (CID 62880616) is 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
The InChIKey is JMATUSROCDUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-4-2-1-3-10(11)9-17-5-7-19-8-6-18-12(19)20/h1-4,17H,5-9H2,(H,18,20).
What are the key properties of 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one?
1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one has a molecular weight of 287.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 62880616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).