1-(1H-imidazol-2-yl)ethanone

C5H6N2O — CID 538972

IUPAC1-(1H-imidazol-2-yl)ethanone
SMILESCC(=O)c1ncc[nH]1
InChIInChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
InChIKeyOSMJIXXVEWORDJ-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.61
Rot. Bonds1

About 1-(1H-imidazol-2-yl)ethanone

1-(1H-imidazol-2-yl)ethanone (PubChem CID 538972) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)ethanone
PubChem CID538972
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name1-(1H-imidazol-2-yl)ethanone
SMILESCC(=O)c1ncc[nH]1
InChIInChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
InChIKeyOSMJIXXVEWORDJ-UHFFFAOYSA-N
XLogP0.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-imidazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(1H-imidazol-2-yl)ethanone (CID 538972) is 1-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(1H-imidazol-2-yl)ethanone is CC(=O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)ethanone?
The InChIKey is OSMJIXXVEWORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7).
What are the key properties of 1-(1H-imidazol-2-yl)ethanone?
1-(1H-imidazol-2-yl)ethanone has a molecular weight of 110.12 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 538972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).