2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid

Name: 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₀N₂O₆ — CID 156760820

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid

SMILESO=C(O)c1ccc2nc(-c3cc(O)cc(C(=O)O)c3O)[nH]c2c1

InChIInChI=1S/C15H10N2O6/c18-7-4-8(12(19)9(5-7)15(22)23)13-16-10-2-1-6(14(20)21)3-11(10)17-13/h1-5,18-19H,(H,16,17)(H,20,21)(H,22,23)

InChIKeyGDEGPBRUHDLNFE-UHFFFAOYSA-N

MW314.25 g/mol

LogP2.04

Rot. Bonds3

About 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid

2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 156760820) has the molecular formula C₁₅H₁₀N₂O₆ and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name	2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID	156760820
Molecular Formula	C₁₅H₁₀N₂O₆
Molecular Weight	314.25 g/mol
Exact Mass	314.05
IUPAC Name	2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILES	O=C(O)c1ccc2nc(-c3cc(O)cc(C(=O)O)c3O)[nH]c2c1
InChI	InChI=1S/C15H10N2O6/c18-7-4-8(12(19)9(5-7)15(22)23)13-16-10-2-1-6(14(20)21)3-11(10)17-13/h1-5,18-19H,(H,16,17)(H,20,21)(H,22,23)
InChIKey	GDEGPBRUHDLNFE-UHFFFAOYSA-N
XLogP	2.04
TPSA	143.74 Å²
H-Bond Donors	5
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.25
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid?

The IUPAC name of 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid (CID 156760820) is 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3cc(O)cc(C(=O)O)c3O)[nH]c2c1.

What is the InChIKey of 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid?

The InChIKey is GDEGPBRUHDLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6/c18-7-4-8(12(19)9(5-7)15(22)23)13-16-10-2-1-6(14(20)21)3-11(10)17-13/h1-5,18-19H,(H,16,17)(H,20,21)(H,22,23).

What are the key properties of 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid?

2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 314.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 156760820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156760820 — identifiers, structure, computed properties (public domain)

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