2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide

C7H8Cl3N3O2 — CID 71019093

IUPAC2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CC(Cl)(Cl)Cl)c(=O)[nH]1
InChIInChI=1S/C7H8Cl3N3O2/c8-7(9,10)3-13-2-4(1-5(11)14)12-6(13)15/h2H,1,3H2,(H2,11,14)(H,12,15)
InChIKeyHUFWKPRDMKYPQJ-UHFFFAOYSA-N
MW272.52 g/mol
LogP0.57
Rot. Bonds3

About 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide

2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide (PubChem CID 71019093) has the molecular formula C7H8Cl3N3O2 and a molecular weight of 272.52 g/mol. Its IUPAC name is 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide
PubChem CID71019093
Molecular FormulaC7H8Cl3N3O2
Molecular Weight272.52 g/mol
Exact Mass270.97
IUPAC Name2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CC(Cl)(Cl)Cl)c(=O)[nH]1
InChIInChI=1S/C7H8Cl3N3O2/c8-7(9,10)3-13-2-4(1-5(11)14)12-6(13)15/h2H,1,3H2,(H2,11,14)(H,12,15)
InChIKeyHUFWKPRDMKYPQJ-UHFFFAOYSA-N
XLogP0.57
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide (CID 71019093) is 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide is NC(=O)Cc1cn(CC(Cl)(Cl)Cl)c(=O)[nH]1.
What is the InChIKey of 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide?
The InChIKey is HUFWKPRDMKYPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl3N3O2/c8-7(9,10)3-13-2-4(1-5(11)14)12-6(13)15/h2H,1,3H2,(H2,11,14)(H,12,15).
What are the key properties of 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide?
2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide has a molecular weight of 272.52 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2,2,2-trichloroethyl)-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 71019093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).