2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline

C16H18N4O — CID 126835868

IUPAC2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline
SMILESCCOC(C)c1nccn1Cc1cnc2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-3-21-12(2)16-17-8-9-20(16)11-13-10-18-14-6-4-5-7-15(14)19-13/h4-10,12H,3,11H2,1-2H3
InChIKeyOZGPSSNTTBUBCY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.97
Rot. Bonds5

About 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline

2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline (PubChem CID 126835868) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline
PubChem CID126835868
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline
SMILESCCOC(C)c1nccn1Cc1cnc2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-3-21-12(2)16-17-8-9-20(16)11-13-10-18-14-6-4-5-7-15(14)19-13/h4-10,12H,3,11H2,1-2H3
InChIKeyOZGPSSNTTBUBCY-UHFFFAOYSA-N
XLogP2.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline?
The IUPAC name of 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline (CID 126835868) is 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline.
What is the SMILES notation for 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline?
The canonical SMILES for 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline is CCOC(C)c1nccn1Cc1cnc2ccccc2n1.
What is the InChIKey of 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline?
The InChIKey is OZGPSSNTTBUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-21-12(2)16-17-8-9-20(16)11-13-10-18-14-6-4-5-7-15(14)19-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline?
2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline has a molecular weight of 282.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]quinoxaline is sourced from PubChem (CID 126835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).