2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid

C18H18N2O4 — CID 20994244

IUPAC2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESCCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC
InChIInChI=1S/C18H18N2O4/c1-3-24-16-10-12(8-9-15(16)23-2)18-19-13-6-4-5-7-14(13)20(18)11-17(21)22/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyAKJUCFPDTQHCSX-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid

2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid (PubChem CID 20994244) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
PubChem CID20994244
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESCCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC
InChIInChI=1S/C18H18N2O4/c1-3-24-16-10-12(8-9-15(16)23-2)18-19-13-6-4-5-7-14(13)20(18)11-17(21)22/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyAKJUCFPDTQHCSX-UHFFFAOYSA-N
XLogP3.20
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]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

Related Compounds

2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22684801
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid (CID 20994244) is 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid is CCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC.
What is the InChIKey of 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is AKJUCFPDTQHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-24-16-10-12(8-9-15(16)23-2)18-19-13-6-4-5-7-14(13)20(18)11-17(21)22/h4-10H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid?
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 20994244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).