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

C22H19N3O4 — CID 162643736

IUPAC3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
InChIInChI=1S/C22H19N3O4/c1-14-20(7-4-10-23-14)29-17-8-9-18-19(12-17)25(2)21(24-18)13-28-16-6-3-5-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyGDYMJTAORXXJRQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.35
Rot. Bonds6

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

3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 162643736) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
PubChem CID162643736
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
InChIInChI=1S/C22H19N3O4/c1-14-20(7-4-10-23-14)29-17-8-9-18-19(12-17)25(2)21(24-18)13-28-16-6-3-5-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyGDYMJTAORXXJRQ-UHFFFAOYSA-N
XLogP4.35
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136
3-[[6-(3-fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
3-[[6-(1,3-benzodioxol-5-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662055
3-[[6-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 66705841
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 3-[[6-(4-fluoro-3-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68662092
methyl 3-[[6-[3-(dimethylamino)phenoxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661388
4-[[1-methyl-6-(3-morpholin-4-ylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid;dihydrochloride
CID 68662280
methyl 3-[[6-[(4-methoxy-3,5-dimethyl-2-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 66705802

Frequently Asked Questions

What is the IUPAC name of 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid (CID 162643736) is 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid is Cc1ncccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1.
What is the InChIKey of 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is GDYMJTAORXXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-20(7-4-10-23-14)29-17-8-9-18-19(12-17)25(2)21(24-18)13-28-16-6-3-5-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid?
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 389.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 162643736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).