1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone

C6H3F6N3O — CID 50999010

IUPAC1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone
SMILESNc1nc(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F6N3O/c7-5(8,9)2-1(14-4(13)15-2)3(16)6(10,11)12/h(H3,13,14,15)
InChIKeyNJILBURPHXWFAQ-UHFFFAOYSA-N
MW247.10 g/mol
LogP1.76
Rot. Bonds1

About 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone

1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone (PubChem CID 50999010) has the molecular formula C6H3F6N3O and a molecular weight of 247.10 g/mol. Its IUPAC name is 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone
PubChem CID50999010
Molecular FormulaC6H3F6N3O
Molecular Weight247.10 g/mol
Exact Mass247.02
IUPAC Name1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone
SMILESNc1nc(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6H3F6N3O/c7-5(8,9)2-1(14-4(13)15-2)3(16)6(10,11)12/h(H3,13,14,15)
InChIKeyNJILBURPHXWFAQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone 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-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone (CID 50999010) is 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone is Nc1nc(C(=O)C(F)(F)F)c(C(F)(F)F)[nH]1.
What is the InChIKey of 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is NJILBURPHXWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6N3O/c7-5(8,9)2-1(14-4(13)15-2)3(16)6(10,11)12/h(H3,13,14,15).
What are the key properties of 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone?
1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 247.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 50999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).