2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide

C6H6F3N3O — CID 18369281

IUPAC2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide
SMILESO=C(NCc1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5(13)11-2-4-1-10-3-12-4/h1,3H,2H2,(H,10,12)(H,11,13)
InChIKeyBWGGCEUSHZDOCC-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.59
Rot. Bonds2

About 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide (PubChem CID 18369281) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide
PubChem CID18369281
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide
SMILESO=C(NCc1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5(13)11-2-4-1-10-3-12-4/h1,3H,2H2,(H,10,12)(H,11,13)
InChIKeyBWGGCEUSHZDOCC-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide (CID 18369281) is 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide is O=C(NCc1cnc[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide?
The InChIKey is BWGGCEUSHZDOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)5(13)11-2-4-1-10-3-12-4/h1,3H,2H2,(H,10,12)(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide has a molecular weight of 193.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)acetamide is sourced from PubChem (CID 18369281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).