2-[3-(benzimidazol-1-yl)phenoxy]acetic acid

C15H12N2O3 — CID 82514442

IUPAC2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)9-20-12-5-3-4-11(8-12)17-10-16-13-6-1-2-7-14(13)17/h1-8,10H,9H2,(H,18,19)
InChIKeyVCCCMBRVOFYAEH-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.49
Rot. Bonds4

About 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid

2-[3-(benzimidazol-1-yl)phenoxy]acetic acid (PubChem CID 82514442) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
PubChem CID82514442
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H12N2O3/c18-15(19)9-20-12-5-3-4-11(8-12)17-10-16-13-6-1-2-7-14(13)17/h1-8,10H,9H2,(H,18,19)
InChIKeyVCCCMBRVOFYAEH-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
CID 95147655
CID 149192166
CID 149192166
2-[3-(3-methyl-1,2,4-triazol-4-yl)phenoxy]acetic acid
CID 82513162
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953
2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
CID 103124324
2-phenazin-2-yloxyacetic acid
CID 97034009
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069
2-phenoxyacetic acid;titanium
CID 174896747
2-[3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
CID 63266368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid (CID 82514442) is 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid is O=C(O)COc1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid?
The InChIKey is VCCCMBRVOFYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)9-20-12-5-3-4-11(8-12)17-10-16-13-6-1-2-7-14(13)17/h1-8,10H,9H2,(H,18,19).
What are the key properties of 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid?
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 82514442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).