Benzimidazolium p-hydroxybenzoate

Name: Benzimidazolium p-hydroxybenzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₂N₂O₃ — CID 139592982

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

IUPAC1H-benzimidazol-3-ium;4-carboxyphenolate

SMILESO=C(O)c1ccc([O-])cc1.c1ccc2[nH+]c[nH]c2c1

InChIInChI=1S/C7H6N2.C7H6O3/c1-2-4-7-6(3-1)8-5-9-7;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,8,9);1-4,8H,(H,9,10)

InChIKeyNZJBHAQQRFQISA-UHFFFAOYSA-N

MW256.26 g/mol

LogP1.44

Rot. Bonds1

About Benzimidazolium p-hydroxybenzoate

Benzimidazolium p-hydroxybenzoate (PubChem CID 139592982) has the molecular formula C₁₄H₁₂N₂O₃ and a molecular weight of 256.26 g/mol. Its IUPAC name is 1H-benzimidazol-3-ium;4-carboxyphenolate.

Molecular Properties

Compound Name	Benzimidazolium p-hydroxybenzoate
PubChem CID	139592982
Molecular Formula	C₁₄H₁₂N₂O₃
Molecular Weight	256.26 g/mol
Exact Mass	256.08
IUPAC Name	1H-benzimidazol-3-ium;4-carboxyphenolate
SMILES	O=C(O)c1ccc([O-])cc1.c1ccc2[nH+]c[nH]c2c1
InChI	InChI=1S/C7H6N2.C7H6O3/c1-2-4-7-6(3-1)8-5-9-7;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,8,9);1-4,8H,(H,9,10)
InChIKey	NZJBHAQQRFQISA-UHFFFAOYSA-N
XLogP	1.44
TPSA	90.29 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.26
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Benzimidazolium p-hydroxybenzoate?

The IUPAC name of Benzimidazolium p-hydroxybenzoate (CID 139592982) is 1H-benzimidazol-3-ium;4-carboxyphenolate.

What is the SMILES notation for Benzimidazolium p-hydroxybenzoate?

The canonical SMILES for Benzimidazolium p-hydroxybenzoate is O=C(O)c1ccc([O-])cc1.c1ccc2[nH+]c[nH]c2c1.

What is the InChIKey of Benzimidazolium p-hydroxybenzoate?

The InChIKey is NZJBHAQQRFQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H6O3/c1-2-4-7-6(3-1)8-5-9-7;8-6-3-1-5(2-4-6)7(9)10/h1-5H,(H,8,9);1-4,8H,(H,9,10).

What are the key properties of Benzimidazolium p-hydroxybenzoate?

Benzimidazolium p-hydroxybenzoate has a molecular weight of 256.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Benzimidazolium p-hydroxybenzoate is sourced from PubChem (CID 139592982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139592982 — identifiers, structure, computed properties (public domain)

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