4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole

C26H21N3O4 — CID 23145531

IUPAC4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole
SMILESCOc1cccc(Oc2cc(Oc3ccccc3OC)c3nc(-c4ccccn4)[nH]c3c2)c1
InChIInChI=1S/C26H21N3O4/c1-30-17-8-7-9-18(14-17)32-19-15-21-25(29-26(28-21)20-10-5-6-13-27-20)24(16-19)33-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,28,29)
InChIKeyKJUBGISRAHRTEH-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.23
Rot. Bonds7

About 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole

4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 23145531) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole
PubChem CID23145531
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole
SMILESCOc1cccc(Oc2cc(Oc3ccccc3OC)c3nc(-c4ccccn4)[nH]c3c2)c1
InChIInChI=1S/C26H21N3O4/c1-30-17-8-7-9-18(14-17)32-19-15-21-25(29-26(28-21)20-10-5-6-13-27-20)24(16-19)33-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,28,29)
InChIKeyKJUBGISRAHRTEH-UHFFFAOYSA-N
XLogP6.23
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole (CID 23145531) is 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole is COc1cccc(Oc2cc(Oc3ccccc3OC)c3nc(-c4ccccn4)[nH]c3c2)c1.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is KJUBGISRAHRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-30-17-8-7-9-18(14-17)32-19-15-21-25(29-26(28-21)20-10-5-6-13-27-20)24(16-19)33-23-12-4-3-11-22(23)31-2/h3-16H,1-2H3,(H,28,29).
What are the key properties of 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 439.47 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 23145531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).