2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol

C11H18N2O2 — CID 104753209

IUPAC2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCc1ncn(CC(O)C2CCOC2)c1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)13(7-12-8)5-11(14)10-3-4-15-6-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyCRQMYKGICFSIDI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.90
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol

2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 104753209) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
PubChem CID104753209
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
SMILESCc1ncn(CC(O)C2CCOC2)c1C
InChIInChI=1S/C11H18N2O2/c1-8-9(2)13(7-12-8)5-11(14)10-3-4-15-6-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyCRQMYKGICFSIDI-UHFFFAOYSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol (CID 104753209) is 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol is Cc1ncn(CC(O)C2CCOC2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is CRQMYKGICFSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(2)13(7-12-8)5-11(14)10-3-4-15-6-10/h7,10-11,14H,3-6H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol?
2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).