3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid

C23H20N2O4 — CID 25115507

IUPAC3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1
InChIInChI=1S/C23H20N2O4/c1-15-6-8-17(9-7-15)29-19-10-11-20-21(13-19)25(2)22(24-20)14-28-18-5-3-4-16(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyIONMUFZKIJOLDZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.95
Rot. Bonds6

About 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid

3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 25115507) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
PubChem CID25115507
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
SMILESCc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1
InChIInChI=1S/C23H20N2O4/c1-15-6-8-17(9-7-15)29-19-10-11-20-21(13-19)25(2)22(24-20)14-28-18-5-3-4-16(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyIONMUFZKIJOLDZ-UHFFFAOYSA-N
XLogP4.95
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
1-Cyclohexyl-2-[4-(5-phenylpentoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10140778
2-[4-(Biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10141859
2-(4-Benzhydryloxyphenyl)-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10185481
1-Cyclohexyl-2-[4-(2,2-diphenylethoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10229600
2-[4-(2-Biphenyl-2-yl-ethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 10229601
1-Cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
2-[4-(Biphenyl-3-ylmethoxy)-phenyl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 15956782
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid (CID 25115507) is 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid is Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1.
What is the InChIKey of 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is IONMUFZKIJOLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-6-8-17(9-7-15)29-19-10-11-20-21(13-19)25(2)22(24-20)14-28-18-5-3-4-16(12-18)23(26)27/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid?
3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-methyl-6-(4-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 25115507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).