2-ethoxy-3-imidazol-1-ylbenzoic acid

C12H12N2O3 — CID 23183097

IUPAC2-ethoxy-3-imidazol-1-ylbenzoic acid
SMILESCCOc1c(C(=O)O)cccc1-n1ccnc1
InChIInChI=1S/C12H12N2O3/c1-2-17-11-9(12(15)16)4-3-5-10(11)14-7-6-13-8-14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyRTVOLMWUNDHGNJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.97
Rot. Bonds4

About 2-ethoxy-3-imidazol-1-ylbenzoic acid

2-ethoxy-3-imidazol-1-ylbenzoic acid (PubChem CID 23183097) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-ethoxy-3-imidazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-ethoxy-3-imidazol-1-ylbenzoic acid
PubChem CID23183097
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-ethoxy-3-imidazol-1-ylbenzoic acid
SMILESCCOc1c(C(=O)O)cccc1-n1ccnc1
InChIInChI=1S/C12H12N2O3/c1-2-17-11-9(12(15)16)4-3-5-10(11)14-7-6-13-8-14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyRTVOLMWUNDHGNJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-imidazol-1-ylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-Imidazol-1-yl-ethoxy)-benzoic acid ethyl ester
CID 13569173
2-Hydroxy-5-(1H-imidazol-1-yl)benzoic acid
CID 12463111
7-[2-(4-Imidazol-1-ylbenzoyl)-4-methylphenoxy]heptanoic acid
CID 44395350
10-[2-(4-Imidazol-1-ylbenzoyl)-4-methylphenoxy]decanoic acid
CID 44395373
6-[2-(4-Imidazol-1-ylbenzoyl)-4-methylphenoxy]hexanoic acid
CID 44395380
8-[2-(4-Imidazol-1-ylbenzoyl)-4-methylphenoxy]octanoic acid
CID 44395400
2-(2-Imidazol-1-yl-ethoxy)-benzoic acid
CID 13569187
Propyl 4-[(4-imidazol-1-ylphenoxy)methyl]benzoate
CID 168269943
Methyl 4-[(4-imidazol-1-ylphenoxy)methyl]benzoate
CID 168275562
Hexyl 4-[(4-imidazol-1-ylphenoxy)methyl]benzoate
CID 168289934
Butyl 4-[(4-imidazol-1-ylphenoxy)methyl]benzoate
CID 168291500
2-[2-(2-Methyl-5-nitroimidazol-1-yl)ethoxy]-3,5-dinitrobenzoic acid
CID 44516568

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-imidazol-1-ylbenzoic acid?
The IUPAC name of 2-ethoxy-3-imidazol-1-ylbenzoic acid (CID 23183097) is 2-ethoxy-3-imidazol-1-ylbenzoic acid.
What is the SMILES notation for 2-ethoxy-3-imidazol-1-ylbenzoic acid?
The canonical SMILES for 2-ethoxy-3-imidazol-1-ylbenzoic acid is CCOc1c(C(=O)O)cccc1-n1ccnc1.
What is the InChIKey of 2-ethoxy-3-imidazol-1-ylbenzoic acid?
The InChIKey is RTVOLMWUNDHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-11-9(12(15)16)4-3-5-10(11)14-7-6-13-8-14/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 2-ethoxy-3-imidazol-1-ylbenzoic acid?
2-ethoxy-3-imidazol-1-ylbenzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-imidazol-1-ylbenzoic acid is sourced from PubChem (CID 23183097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).