2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one

C8H14N2O3 — CID 106951997

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESCOCCOCCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-12-4-5-13-3-2-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11)
InChIKeyAVSGGSSOTZMAKS-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.43
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one

2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951997) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one
PubChem CID106951997
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one
SMILESCOCCOCCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-12-4-5-13-3-2-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11)
InChIKeyAVSGGSSOTZMAKS-UHFFFAOYSA-N
XLogP-0.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one (CID 106951997) is 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one is COCCOCCC1=NCC(=O)N1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is AVSGGSSOTZMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-12-4-5-13-3-2-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one?
2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 186.21 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).