2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H12F3N3O2 — CID 116624349

IUPAC2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-2-14-3-4-15(8(14)17)5-7(16)13-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,16)
InChIKeyVLLYFPNBDFTRLL-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.35
Rot. Bonds4

About 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116624349) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116624349
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-2-14-3-4-15(8(14)17)5-7(16)13-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,16)
InChIKeyVLLYFPNBDFTRLL-UHFFFAOYSA-N
XLogP0.35
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116624349) is 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCn1ccn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VLLYFPNBDFTRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-2-14-3-4-15(8(14)17)5-7(16)13-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,16).
What are the key properties of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.21 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116624349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).