2,5-bis(2-ethenoxyethoxy)-1H-imidazole

C11H16N2O4 — CID 22272232

IUPAC2,5-bis(2-ethenoxyethoxy)-1H-imidazole
SMILESC=COCCOc1cnc(OCCOC=C)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-14-5-7-16-10-9-12-11(13-10)17-8-6-15-4-2/h3-4,9H,1-2,5-8H2,(H,12,13)
InChIKeyQQJVKDKULJAGRO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.49
Rot. Bonds10

About 2,5-bis(2-ethenoxyethoxy)-1H-imidazole

2,5-bis(2-ethenoxyethoxy)-1H-imidazole (PubChem CID 22272232) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,5-bis(2-ethenoxyethoxy)-1H-imidazole.

Molecular Properties

Compound Name2,5-bis(2-ethenoxyethoxy)-1H-imidazole
PubChem CID22272232
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2,5-bis(2-ethenoxyethoxy)-1H-imidazole
SMILESC=COCCOc1cnc(OCCOC=C)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-14-5-7-16-10-9-12-11(13-10)17-8-6-15-4-2/h3-4,9H,1-2,5-8H2,(H,12,13)
InChIKeyQQJVKDKULJAGRO-UHFFFAOYSA-N
XLogP1.49
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-ethenoxyethoxy)-1H-imidazole?
The IUPAC name of 2,5-bis(2-ethenoxyethoxy)-1H-imidazole (CID 22272232) is 2,5-bis(2-ethenoxyethoxy)-1H-imidazole.
What is the SMILES notation for 2,5-bis(2-ethenoxyethoxy)-1H-imidazole?
The canonical SMILES for 2,5-bis(2-ethenoxyethoxy)-1H-imidazole is C=COCCOc1cnc(OCCOC=C)[nH]1.
What is the InChIKey of 2,5-bis(2-ethenoxyethoxy)-1H-imidazole?
The InChIKey is QQJVKDKULJAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-14-5-7-16-10-9-12-11(13-10)17-8-6-15-4-2/h3-4,9H,1-2,5-8H2,(H,12,13).
What are the key properties of 2,5-bis(2-ethenoxyethoxy)-1H-imidazole?
2,5-bis(2-ethenoxyethoxy)-1H-imidazole has a molecular weight of 240.26 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-ethenoxyethoxy)-1H-imidazole is sourced from PubChem (CID 22272232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).