3-(1H-benzimidazol-2-yloxy)benzoic acid

C14H10N2O3 — CID 71564536

IUPAC3-(1H-benzimidazol-2-yloxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)19-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKeyWNMUUJMTDRAURZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.05
Rot. Bonds3

About 3-(1H-benzimidazol-2-yloxy)benzoic acid

3-(1H-benzimidazol-2-yloxy)benzoic acid (PubChem CID 71564536) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yloxy)benzoic acid.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yloxy)benzoic acid
PubChem CID71564536
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(1H-benzimidazol-2-yloxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)19-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKeyWNMUUJMTDRAURZ-UHFFFAOYSA-N
XLogP3.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
3-aminobenzoic acid;1H-benzimidazol-2-amine
CID 23298600
3-naphthalen-2-yloxybenzoic acid
CID 10587676
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
CID 146022167
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
N-hydroxy-3-[(5-isocyano-6-methyl-1H-benzimidazol-2-yl)oxy]benzamide
CID 161113178
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yloxy)benzoic acid?
The IUPAC name of 3-(1H-benzimidazol-2-yloxy)benzoic acid (CID 71564536) is 3-(1H-benzimidazol-2-yloxy)benzoic acid.
What is the SMILES notation for 3-(1H-benzimidazol-2-yloxy)benzoic acid?
The canonical SMILES for 3-(1H-benzimidazol-2-yloxy)benzoic acid is O=C(O)c1cccc(Oc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yloxy)benzoic acid?
The InChIKey is WNMUUJMTDRAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13(18)9-4-3-5-10(8-9)19-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yloxy)benzoic acid?
3-(1H-benzimidazol-2-yloxy)benzoic acid has a molecular weight of 254.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yloxy)benzoic acid is sourced from PubChem (CID 71564536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).