4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid

C16H14N2O3 — CID 69478417

IUPAC4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
SMILESCC(Oc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N2O3/c1-10(15-17-13-4-2-3-5-14(13)18-15)21-12-8-6-11(7-9-12)16(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyGHTLSMHYLUCAJN-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.40
Rot. Bonds4

About 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid

4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid (PubChem CID 69478417) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
PubChem CID69478417
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
SMILESCC(Oc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N2O3/c1-10(15-17-13-4-2-3-5-14(13)18-15)21-12-8-6-11(7-9-12)16(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyGHTLSMHYLUCAJN-UHFFFAOYSA-N
XLogP3.40
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
1-(1H-benzimidazol-2-yl)ethyl 3,4-dichlorobenzoate
CID 154833747
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
methyl 2-[[4-[4-[1-(1H-benzimidazol-2-yl)ethoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoate
CID 68712909
1-(1H-benzimidazol-2-yl)ethyl 4-nitrobenzoate
CID 3612510
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419
[(1S,2S)-1,2-bis(1H-benzimidazol-2-yl)-2-benzoyloxyethyl] benzoate
CID 126341294
2-propan-2-yl-1H-benzimidazole
CID 22121
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid (CID 69478417) is 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid is CC(Oc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid?
The InChIKey is GHTLSMHYLUCAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(15-17-13-4-2-3-5-14(13)18-15)21-12-8-6-11(7-9-12)16(19)20/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid?
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 69478417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).