1-(trifluoromethyl)imidazole-4-carboxamide

C5H4F3N3O — CID 153453458

IUPAC1-(trifluoromethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)11-1-3(4(9)12)10-2-11/h1-2H,(H2,9,12)
InChIKeyQVAUNVSUAXOHFI-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.46
Rot. Bonds1

About 1-(trifluoromethyl)imidazole-4-carboxamide

1-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 153453458) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 1-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID153453458
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name1-(trifluoromethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(C(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)11-1-3(4(9)12)10-2-11/h1-2H,(H2,9,12)
InChIKeyQVAUNVSUAXOHFI-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(trifluoromethyl)imidazole-4-carboxamide 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-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(trifluoromethyl)imidazole-4-carboxamide (CID 153453458) is 1-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)imidazole-4-carboxamide is NC(=O)c1cn(C(F)(F)F)cn1.
What is the InChIKey of 1-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is QVAUNVSUAXOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)11-1-3(4(9)12)10-2-11/h1-2H,(H2,9,12).
What are the key properties of 1-(trifluoromethyl)imidazole-4-carboxamide?
1-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 179.10 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 153453458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).