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

C6H8N2O2 — CID 53358898

IUPAC1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(CO)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(10)6-7-2-5(3-9)8-6/h2,9H,3H2,1H3,(H,7,8)
InChIKeyJXDVIQLWMKAZBS-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.10
Rot. Bonds2

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

1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone (PubChem CID 53358898) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
PubChem CID53358898
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(CO)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4(10)6-7-2-5(3-9)8-6/h2,9H,3H2,1H3,(H,7,8)
InChIKeyJXDVIQLWMKAZBS-UHFFFAOYSA-N
XLogP0.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone (CID 53358898) is 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(CO)[nH]1.
What is the InChIKey of 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is JXDVIQLWMKAZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(10)6-7-2-5(3-9)8-6/h2,9H,3H2,1H3,(H,7,8).
What are the key properties of 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone?
1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 140.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 53358898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).