2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid

C16H14N2O3 — CID 63030910

IUPAC2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-11-8-6-10(7-9-11)15-17-13-5-3-4-12(16(19)20)14(13)18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAAJOJBJXQLGCAK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid

2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 63030910) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID63030910
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-21-11-8-6-10(7-9-11)15-17-13-5-3-4-12(16(19)20)14(13)18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAAJOJBJXQLGCAK-UHFFFAOYSA-N
XLogP3.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid (CID 63030910) is 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid is CCOc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is AAJOJBJXQLGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-11-8-6-10(7-9-11)15-17-13-5-3-4-12(16(19)20)14(13)18-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63030910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).