5-ethenyl-1H-imidazol-4-ol

C5H6N2O — CID 123199688

IUPAC5-ethenyl-1H-imidazol-4-ol
SMILESC=Cc1[nH]cnc1O
InChIInChI=1S/C5H6N2O/c1-2-4-5(8)7-3-6-4/h2-3,8H,1H2,(H,6,7)
InChIKeyXDZGTIJKZDYDAE-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.76
Rot. Bonds1

About 5-ethenyl-1H-imidazol-4-ol

5-ethenyl-1H-imidazol-4-ol (PubChem CID 123199688) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 5-ethenyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-ethenyl-1H-imidazol-4-ol
PubChem CID123199688
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name5-ethenyl-1H-imidazol-4-ol
SMILESC=Cc1[nH]cnc1O
InChIInChI=1S/C5H6N2O/c1-2-4-5(8)7-3-6-4/h2-3,8H,1H2,(H,6,7)
InChIKeyXDZGTIJKZDYDAE-UHFFFAOYSA-N
XLogP0.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1H-imidazol-4-ol?
The IUPAC name of 5-ethenyl-1H-imidazol-4-ol (CID 123199688) is 5-ethenyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-ethenyl-1H-imidazol-4-ol?
The canonical SMILES for 5-ethenyl-1H-imidazol-4-ol is C=Cc1[nH]cnc1O.
What is the InChIKey of 5-ethenyl-1H-imidazol-4-ol?
The InChIKey is XDZGTIJKZDYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-4-5(8)7-3-6-4/h2-3,8H,1H2,(H,6,7).
What are the key properties of 5-ethenyl-1H-imidazol-4-ol?
5-ethenyl-1H-imidazol-4-ol has a molecular weight of 110.12 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1H-imidazol-4-ol is sourced from PubChem (CID 123199688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).