3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

C23H20N2O5 — CID 68661324

IUPAC3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1
InChIInChI=1S/C23H20N2O5/c1-25-21-13-19(30-17-8-6-16(28-2)7-9-17)10-11-20(21)24-22(25)14-29-18-5-3-4-15(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyFDORYMUQVHPYCD-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.65
Rot. Bonds7

About 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 68661324) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
PubChem CID68661324
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1
InChIInChI=1S/C23H20N2O5/c1-25-21-13-19(30-17-8-6-16(28-2)7-9-17)10-11-20(21)24-22(25)14-29-18-5-3-4-15(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyFDORYMUQVHPYCD-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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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (CID 68661324) is 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1.
What is the InChIKey of 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is FDORYMUQVHPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-25-21-13-19(30-17-8-6-16(28-2)7-9-17)10-11-20(21)24-22(25)14-29-18-5-3-4-15(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-[[6-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
3-[[6-(4-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-(4-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 68661324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).