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

C22H19N3O5 — CID 46909009

IUPAC3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1
InChIInChI=1S/C22H19N3O5/c1-25-19-11-16(30-17-7-9-21(28-2)23-12-17)6-8-18(19)24-20(25)13-29-15-5-3-4-14(10-15)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyWBDMHCWCXNGNHI-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.05
Rot. Bonds7

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

3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 46909009) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
PubChem CID46909009
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCOc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1
InChIInChI=1S/C22H19N3O5/c1-25-19-11-16(30-17-7-9-21(28-2)23-12-17)6-8-18(19)24-20(25)13-29-15-5-3-4-14(10-15)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyWBDMHCWCXNGNHI-UHFFFAOYSA-N
XLogP4.05
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid with MolForge

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Related Compounds

3-{[6-(4-Chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid
CID 25115504
3-((6-((3,5-Dimethylpyridin-2-yl)oxy)-1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acid
CID 46908905
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
1-(2,5-dimethoxyphenyl)-1H-benzimidazole-5-carboxylic acid
CID 3239142
3-[[6-(2,5-Difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115277
3-[[6-(3-Fluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115278
3-[[1-Methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
CID 25115507
3-[[6-(2,3-Dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46213107
3-({6-[(3-Chloropyridin-2-yl)oxy]-1-methyl-1H-benzimidazol-2-yl}methoxy)benzoic acid
CID 46908722
3-[[6-[(5,6-Dimethyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908814
3-[[6-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 46908815

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (CID 46909009) is 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cn1.
What is the InChIKey of 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is WBDMHCWCXNGNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-25-19-11-16(30-17-7-9-21(28-2)23-12-17)6-8-18(19)24-20(25)13-29-15-5-3-4-14(10-15)22(26)27/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 405.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(6-methoxy-3-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 46909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).