2-(1H-imidazol-5-yl)ethanol

C5H8N2O — CID 3083655

IUPAC2-(1H-imidazol-5-yl)ethanol
SMILESOCCc1cnc[nH]1
InChIInChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
InChIKeyHEEACTTWORLLPM-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.06
Rot. Bonds2

About 2-(1H-imidazol-5-yl)ethanol

2-(1H-imidazol-5-yl)ethanol (PubChem CID 3083655) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanol
PubChem CID3083655
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(1H-imidazol-5-yl)ethanol
SMILESOCCc1cnc[nH]1
InChIInChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
InChIKeyHEEACTTWORLLPM-UHFFFAOYSA-N
XLogP-0.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanol (CID 3083655) is 2-(1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanol is OCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanol?
The InChIKey is HEEACTTWORLLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7).
What are the key properties of 2-(1H-imidazol-5-yl)ethanol?
2-(1H-imidazol-5-yl)ethanol has a molecular weight of 112.13 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 3083655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).