2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid

C7H10N2O3 — CID 19766402

IUPAC2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1cnc[nH]1
InChIInChI=1S/C7H10N2O3/c10-7(11)4-12-2-1-6-3-8-5-9-6/h3,5H,1-2,4H2,(H,8,9)(H,10,11)
InChIKeyZAPIVEWVGVXNJV-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.05
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid

2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid (PubChem CID 19766402) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid
PubChem CID19766402
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1cnc[nH]1
InChIInChI=1S/C7H10N2O3/c10-7(11)4-12-2-1-6-3-8-5-9-6/h3,5H,1-2,4H2,(H,8,9)(H,10,11)
InChIKeyZAPIVEWVGVXNJV-UHFFFAOYSA-N
XLogP0.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid (CID 19766402) is 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid is O=C(O)COCCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid?
The InChIKey is ZAPIVEWVGVXNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-7(11)4-12-2-1-6-3-8-5-9-6/h3,5H,1-2,4H2,(H,8,9)(H,10,11).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid?
2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid has a molecular weight of 170.17 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 19766402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).