1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

C9H14F3N3O — CID 80582421

IUPAC1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESCCn1ccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C9H14F3N3O/c1-2-14-5-6-15(8(14)16)4-3-13-7-9(10,11)12/h5-6,13H,2-4,7H2,1H3
InChIKeyFTYKQMDLPYIDTH-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.82
Rot. Bonds5

About 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (PubChem CID 80582421) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
PubChem CID80582421
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESCCn1ccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C9H14F3N3O/c1-2-14-5-6-15(8(14)16)4-3-13-7-9(10,11)12/h5-6,13H,2-4,7H2,1H3
InChIKeyFTYKQMDLPYIDTH-UHFFFAOYSA-N
XLogP0.82
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-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-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (CID 80582421) is 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is CCn1ccn(CCNCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The InChIKey is FTYKQMDLPYIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-14-5-6-15(8(14)16)4-3-13-7-9(10,11)12/h5-6,13H,2-4,7H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one has a molecular weight of 237.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is sourced from PubChem (CID 80582421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).