1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone

C6H7FN2O2 — CID 89279989

IUPAC1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(F)c(CO)[nH]1
InChIInChI=1S/C6H7FN2O2/c1-3(11)6-8-4(2-10)5(7)9-6/h10H,2H2,1H3,(H,8,9)
InChIKeyARYQTOUEZNGJSE-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.24
Rot. Bonds2

About 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone

1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone (PubChem CID 89279989) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
PubChem CID89279989
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(F)c(CO)[nH]1
InChIInChI=1S/C6H7FN2O2/c1-3(11)6-8-4(2-10)5(7)9-6/h10H,2H2,1H3,(H,8,9)
InChIKeyARYQTOUEZNGJSE-UHFFFAOYSA-N
XLogP0.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone (CID 89279989) is 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1nc(F)c(CO)[nH]1.
What is the InChIKey of 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is ARYQTOUEZNGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-3(11)6-8-4(2-10)5(7)9-6/h10H,2H2,1H3,(H,8,9).
What are the key properties of 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 158.13 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 89279989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).