3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

C23H20N2O5 — CID 68661491

IUPAC3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
InChIInChI=1S/C23H20N2O5/c1-25-21-13-19(30-18-8-4-6-16(12-18)28-2)9-10-20(21)24-22(25)14-29-17-7-3-5-15(11-17)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeySMTOFNPJCJQJKP-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.65
Rot. Bonds7

About 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 68661491) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
PubChem CID68661491
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
InChIInChI=1S/C23H20N2O5/c1-25-21-13-19(30-18-8-4-6-16(12-18)28-2)9-10-20(21)24-22(25)14-29-17-7-3-5-15(11-17)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeySMTOFNPJCJQJKP-UHFFFAOYSA-N
XLogP4.65
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
3-[[6-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 66705841
3-[[6-(3-fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621
3-[[6-(1,3-benzodioxol-5-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662055
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
CID 162643736
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065
methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661388
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
4-[[1-methyl-6-(3-morpholin-4-ylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid;dihydrochloride
CID 68662280
methyl 3-[[6-[(5-bromo-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705945

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (CID 68661491) is 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is COc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1.
What is the InChIKey of 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is SMTOFNPJCJQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-25-21-13-19(30-18-8-4-6-16(12-18)28-2)9-10-20(21)24-22(25)14-29-17-7-3-5-15(11-17)23(26)27/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 404.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 68661491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).