1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone

C7H10N2O2 — CID 91602067

IUPAC1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
SMILESCC(=O)c1nccn1CCO
InChIInChI=1S/C7H10N2O2/c1-6(11)7-8-2-3-9(7)4-5-10/h2-3,10H,4-5H2,1H3
InChIKeyRYERNCIMPNNDHE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.08
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone

1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone (PubChem CID 91602067) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
PubChem CID91602067
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
SMILESCC(=O)c1nccn1CCO
InChIInChI=1S/C7H10N2O2/c1-6(11)7-8-2-3-9(7)4-5-10/h2-3,10H,4-5H2,1H3
InChIKeyRYERNCIMPNNDHE-UHFFFAOYSA-N
XLogP0.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone (CID 91602067) is 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone is CC(=O)c1nccn1CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone?
The InChIKey is RYERNCIMPNNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(11)7-8-2-3-9(7)4-5-10/h2-3,10H,4-5H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone?
1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone has a molecular weight of 154.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone is sourced from PubChem (CID 91602067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).