2-(3-ethenyl-2H-imidazol-1-yl)ethanol

C7H12N2O — CID 57070894

IUPAC2-(3-ethenyl-2H-imidazol-1-yl)ethanol
SMILESC=CN1C=CN(CCO)C1
InChIInChI=1S/C7H12N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,10H,1,5-7H2
InChIKeyURUXSPZWELHYFY-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.17
Rot. Bonds3

About 2-(3-ethenyl-2H-imidazol-1-yl)ethanol

2-(3-ethenyl-2H-imidazol-1-yl)ethanol (PubChem CID 57070894) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3-ethenyl-2H-imidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethenyl-2H-imidazol-1-yl)ethanol
PubChem CID57070894
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(3-ethenyl-2H-imidazol-1-yl)ethanol
SMILESC=CN1C=CN(CCO)C1
InChIInChI=1S/C7H12N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,10H,1,5-7H2
InChIKeyURUXSPZWELHYFY-UHFFFAOYSA-N
XLogP0.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol?
The IUPAC name of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol (CID 57070894) is 2-(3-ethenyl-2H-imidazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol?
The canonical SMILES for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol is C=CN1C=CN(CCO)C1.
What is the InChIKey of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol?
The InChIKey is URUXSPZWELHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-8-3-4-9(7-8)5-6-10/h2-4,10H,1,5-7H2.
What are the key properties of 2-(3-ethenyl-2H-imidazol-1-yl)ethanol?
2-(3-ethenyl-2H-imidazol-1-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2H-imidazol-1-yl)ethanol is sourced from PubChem (CID 57070894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).