3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

C24H20N2O5 — CID 46213107

IUPAC3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)cc21
InChIInChI=1S/C24H20N2O5/c1-26-21-12-18(31-19-6-5-15-9-10-29-22(15)13-19)7-8-20(21)25-23(26)14-30-17-4-2-3-16(11-17)24(27)28/h2-8,11-13H,9-10,14H2,1H3,(H,27,28)
InChIKeyMAARTLAEHFIPPW-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.58
Rot. Bonds6

About 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 46213107) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
PubChem CID46213107
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)cc21
InChIInChI=1S/C24H20N2O5/c1-26-21-12-18(31-19-6-5-15-9-10-29-22(15)13-19)7-8-20(21)25-23(26)14-30-17-4-2-3-16(11-17)24(27)28/h2-8,11-13H,9-10,14H2,1H3,(H,27,28)
InChIKeyMAARTLAEHFIPPW-UHFFFAOYSA-N
XLogP4.58
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-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
(11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10024655
(11E)-11-[2-(5-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10454345
(11E)-11-[2-(4,6-dimethoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10456019
11-[2-(5,6-Dimethoxy-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 11744062
11-[2-(5,7-Dimethoxy-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 11744063
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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (CID 46213107) is 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)cc21.
What is the InChIKey of 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is MAARTLAEHFIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-26-21-12-18(31-19-6-5-15-9-10-29-22(15)13-19)7-8-20(21)25-23(26)14-30-17-4-2-3-16(11-17)24(27)28/h2-8,11-13H,9-10,14H2,1H3,(H,27,28).
What are the key properties of 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 416.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,3-dihydro-1-benzofuran-6-yloxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 46213107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).