2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid

C8H12N2O3 — CID 19766364

IUPAC2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
SMILESCc1[nH]cnc1CCOCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-6-7(10-5-9-6)2-3-13-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRXNIRJGDWFOSRS-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.36
Rot. Bonds5

About 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid

2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid (PubChem CID 19766364) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
PubChem CID19766364
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
SMILESCc1[nH]cnc1CCOCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-6-7(10-5-9-6)2-3-13-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRXNIRJGDWFOSRS-UHFFFAOYSA-N
XLogP0.36
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(5-methyl-1H-imidazol-4-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-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid (CID 19766364) is 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid is Cc1[nH]cnc1CCOCC(=O)O.
What is the InChIKey of 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid?
The InChIKey is RXNIRJGDWFOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-7(10-5-9-6)2-3-13-4-8(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid?
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid has a molecular weight of 184.19 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid is sourced from PubChem (CID 19766364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).