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'}

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Related Compounds

1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
CID 60867130
trimethyl-[2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methoxy]ethyl]silane
CID 123459953
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethanamine;hydrochloride
CID 71283927
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
[(3R,6S)-6-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methylcarbamoyl]oxan-3-yl]carbamic acid
CID 155093295
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243

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).