1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one

C12H22N2O4 — CID 116624225

IUPAC1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
SMILESCCn1ccn(CCOCCOCCOC)c1=O
InChIInChI=1S/C12H22N2O4/c1-3-13-4-5-14(12(13)15)6-7-17-10-11-18-9-8-16-2/h4-5H,3,6-11H2,1-2H3
InChIKeyDVXKJGNONZNBSG-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.35
Rot. Bonds10

About 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one

1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one (PubChem CID 116624225) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
PubChem CID116624225
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
SMILESCCn1ccn(CCOCCOCCOC)c1=O
InChIInChI=1S/C12H22N2O4/c1-3-13-4-5-14(12(13)15)6-7-17-10-11-18-9-8-16-2/h4-5H,3,6-11H2,1-2H3
InChIKeyDVXKJGNONZNBSG-UHFFFAOYSA-N
XLogP0.35
TPSA54.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one (CID 116624225) is 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one is CCn1ccn(CCOCCOCCOC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one?
The InChIKey is DVXKJGNONZNBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-13-4-5-14(12(13)15)6-7-17-10-11-18-9-8-16-2/h4-5H,3,6-11H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one?
1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one is sourced from PubChem (CID 116624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).