2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

C13H20N2O2 — CID 79752624

IUPAC2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C13H20N2O2/c1-2-15-6-5-14-13(15)8-11(16)10-7-9-3-4-12(10)17-9/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyZHNDIQDBNXQALH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.37
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (PubChem CID 79752624) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
PubChem CID79752624
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C13H20N2O2/c1-2-15-6-5-14-13(15)8-11(16)10-7-9-3-4-12(10)17-9/h5-6,9-12,16H,2-4,7-8H2,1H3
InChIKeyZHNDIQDBNXQALH-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (CID 79752624) is 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is CCn1ccnc1CC(O)C1CC2CCC1O2.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The InChIKey is ZHNDIQDBNXQALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-15-6-5-14-13(15)8-11(16)10-7-9-3-4-12(10)17-9/h5-6,9-12,16H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is sourced from PubChem (CID 79752624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).