2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid

C16H14N2O3 — CID 673262

IUPAC2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyQUUVEEJIGXHAME-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds4

About 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid

2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (PubChem CID 673262) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
PubChem CID673262
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyQUUVEEJIGXHAME-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3570-0208 [Pmid:19807662]
CID 3092570
3-(1-Methylbenzimidazol-2-yl)chromen-2-one
CID 951231
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552745
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
(1-(4-(o-tolyloxy)butyl)-1H-benzo[d]imidazol-2-yl)methanol
CID 3155846
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
1H-1,3-Benzimidazole, 2-[(2-methylphenoxy)methyl]-1-(2-propynyl)-
CID 6484375
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (CID 673262) is 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is Cn1c(COc2ccccc2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The InChIKey is QUUVEEJIGXHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).