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

Related Compounds

5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967439
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967529
3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 115282048
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-[4-(difluoromethyl)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 115525853
5-amino-3-ethyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
CID 79968215
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 104824163

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).