2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3O2 — CID 106717235

IUPAC2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(CO)c1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,5,15H,2-4H2,(H,12,16)
InChIKeyVRLXJZODUFFYEK-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.05
Rot. Bonds4

About 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106717235) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106717235
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(CO)c1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,5,15H,2-4H2,(H,12,16)
InChIKeyVRLXJZODUFFYEK-UHFFFAOYSA-N
XLogP0.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 106717235) is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnc(CO)c1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VRLXJZODUFFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,5,15H,2-4H2,(H,12,16).
What are the key properties of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106717235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).