2-ethyl-1-(oxan-4-ylmethyl)imidazole

C11H18N2O — CID 63812447

IUPAC2-ethyl-1-(oxan-4-ylmethyl)imidazole
SMILESCCc1nccn1CC1CCOCC1
InChIInChI=1S/C11H18N2O/c1-2-11-12-5-6-13(11)9-10-3-7-14-8-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyTURQJLCSSKJMRA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.87
Rot. Bonds3

About 2-ethyl-1-(oxan-4-ylmethyl)imidazole

2-ethyl-1-(oxan-4-ylmethyl)imidazole (PubChem CID 63812447) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethyl-1-(oxan-4-ylmethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(oxan-4-ylmethyl)imidazole
PubChem CID63812447
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethyl-1-(oxan-4-ylmethyl)imidazole
SMILESCCc1nccn1CC1CCOCC1
InChIInChI=1S/C11H18N2O/c1-2-11-12-5-6-13(11)9-10-3-7-14-8-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyTURQJLCSSKJMRA-UHFFFAOYSA-N
XLogP1.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxan-4-ylmethyl)imidazole?
The IUPAC name of 2-ethyl-1-(oxan-4-ylmethyl)imidazole (CID 63812447) is 2-ethyl-1-(oxan-4-ylmethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(oxan-4-ylmethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(oxan-4-ylmethyl)imidazole is CCc1nccn1CC1CCOCC1.
What is the InChIKey of 2-ethyl-1-(oxan-4-ylmethyl)imidazole?
The InChIKey is TURQJLCSSKJMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-11-12-5-6-13(11)9-10-3-7-14-8-4-10/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 2-ethyl-1-(oxan-4-ylmethyl)imidazole?
2-ethyl-1-(oxan-4-ylmethyl)imidazole has a molecular weight of 194.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxan-4-ylmethyl)imidazole is sourced from PubChem (CID 63812447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).