2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide

C10H14F3N3O2 — CID 136560352

IUPAC2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide
SMILESCCCOCC(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-2-3-18-6-9(17)15-5-8-14-4-7(16-8)10(11,12)13/h4H,2-3,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyMEUJKUFMGGFSLC-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.47
Rot. Bonds6

About 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide

2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide (PubChem CID 136560352) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide
PubChem CID136560352
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide
SMILESCCCOCC(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-2-3-18-6-9(17)15-5-8-14-4-7(16-8)10(11,12)13/h4H,2-3,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyMEUJKUFMGGFSLC-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide 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 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide (CID 136560352) is 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide is CCCOCC(=O)NCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide?
The InChIKey is MEUJKUFMGGFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-3-18-6-9(17)15-5-8-14-4-7(16-8)10(11,12)13/h4H,2-3,5-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide?
2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide has a molecular weight of 265.23 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 136560352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).