3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one

C7H12N2O3 — CID 103124665

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCOCCO
InChIInChI=1S/C7H12N2O3/c10-4-6-12-5-3-9-2-1-8-7(9)11/h1-2,10H,3-6H2,(H,8,11)
InChIKeyXCSRSJPBEBUXGC-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.81
Rot. Bonds5

About 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one

3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one (PubChem CID 103124665) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one
PubChem CID103124665
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCOCCO
InChIInChI=1S/C7H12N2O3/c10-4-6-12-5-3-9-2-1-8-7(9)11/h1-2,10H,3-6H2,(H,8,11)
InChIKeyXCSRSJPBEBUXGC-UHFFFAOYSA-N
XLogP-0.81
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one (CID 103124665) is 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one?
The InChIKey is XCSRSJPBEBUXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-4-6-12-5-3-9-2-1-8-7(9)11/h1-2,10H,3-6H2,(H,8,11).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one?
3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one has a molecular weight of 172.18 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).