5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one

C12H12F3N3O — CID 79967736

IUPAC5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-2-18-9(10(16)17-11(18)19)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19)
InChIKeyGOWKAIVOWSONAI-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.56
Rot. Bonds2

About 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one

5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one (PubChem CID 79967736) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
PubChem CID79967736
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-2-18-9(10(16)17-11(18)19)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19)
InChIKeyGOWKAIVOWSONAI-UHFFFAOYSA-N
XLogP2.56
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-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 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one (CID 79967736) is 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
The InChIKey is GOWKAIVOWSONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-18-9(10(16)17-11(18)19)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,2H2,1H3,(H2,16,17,19).
What are the key properties of 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one?
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one has a molecular weight of 271.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79967736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).