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

C12H12N2O3 — CID 54252987

IUPAC2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCc1ncc[nH]1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-3-1-2-4-10(9)17-8-5-11-13-6-7-14-11/h1-4,6-7H,5,8H2,(H,13,14)(H,15,16)
InChIKeyQYBJRVRHESJBAS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.73
Rot. Bonds5

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

2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid (PubChem CID 54252987) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid
PubChem CID54252987
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCc1ncc[nH]1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-3-1-2-4-10(9)17-8-5-11-13-6-7-14-11/h1-4,6-7H,5,8H2,(H,13,14)(H,15,16)
InChIKeyQYBJRVRHESJBAS-UHFFFAOYSA-N
XLogP1.73
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid (CID 54252987) is 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCc1ncc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
The InChIKey is QYBJRVRHESJBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)9-3-1-2-4-10(9)17-8-5-11-13-6-7-14-11/h1-4,6-7H,5,8H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid?
2-[2-(1H-imidazol-2-yl)ethoxy]benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.73, 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-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 54252987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).