5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid

C14H10N2O3 — CID 136510486

IUPAC5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C14H10N2O3/c17-12-6-5-8(7-9(12)14(18)19)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChIKeyIXCMYXKERPMGPM-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.63
Rot. Bonds2

About 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid

5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid (PubChem CID 136510486) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
PubChem CID136510486
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C14H10N2O3/c17-12-6-5-8(7-9(12)14(18)19)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChIKeyIXCMYXKERPMGPM-UHFFFAOYSA-N
XLogP2.63
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159596714
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
CID 162531033
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
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4-(1H-benzimidazol-2-yl)-2-nitrophenol
CID 135696400
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
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2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167313683
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
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2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid (CID 136510486) is 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid is O=C(O)c1cc(-c2nc3ccccc3[nH]2)ccc1O.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid?
The InChIKey is IXCMYXKERPMGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-12-6-5-8(7-9(12)14(18)19)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19).
What are the key properties of 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid?
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 136510486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).