2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O2 — CID 116624874

IUPAC2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-3-15-4-5-16(9(15)18)6-8(17)14-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyBSSYGXSHABNZAY-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.74
Rot. Bonds5

About 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116624874) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116624874
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-2-3-15-4-5-16(9(15)18)6-8(17)14-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,14,17)
InChIKeyBSSYGXSHABNZAY-UHFFFAOYSA-N
XLogP0.74
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-4-nitro-1,2-dihydroimidazol-3-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 90071801
1-Methyl-4-[2-(2,2,2-trifluoroethylamino)ethyl]pyrazine-2,3-dione
CID 62928749
1-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
1-Methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582401
1-Ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582421
N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
CID 86811881
2-(3-cyclopropyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113545137
2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propylacetamide
CID 115575925
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624349
2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624583
2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116625166
N-methyl-2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
CID 116654871

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116624874) is 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCn1ccn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BSSYGXSHABNZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-3-15-4-5-16(9(15)18)6-8(17)14-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3,(H,14,17).
What are the key properties of 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).