2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole

C12H20N2O2 — CID 86793090

IUPAC2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESCCOC(C)c1nccn1CC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-3-15-10(2)12-13-6-7-14(12)9-11-5-4-8-16-11/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyGIEUHGHMXAXHPG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.16
Rot. Bonds5

About 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole

2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole (PubChem CID 86793090) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
PubChem CID86793090
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
SMILESCCOC(C)c1nccn1CC1CCCO1
InChIInChI=1S/C12H20N2O2/c1-3-15-10(2)12-13-6-7-14(12)9-11-5-4-8-16-11/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyGIEUHGHMXAXHPG-UHFFFAOYSA-N
XLogP2.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole?
The IUPAC name of 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole (CID 86793090) is 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole?
The canonical SMILES for 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole is CCOC(C)c1nccn1CC1CCCO1.
What is the InChIKey of 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole?
The InChIKey is GIEUHGHMXAXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-15-10(2)12-13-6-7-14(12)9-11-5-4-8-16-11/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole?
2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole has a molecular weight of 224.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole is sourced from PubChem (CID 86793090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).