2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine

C26H17N3O3 — CID 139493757

IUPAC2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
SMILESc1ccc(Oc2cccc(Oc3cc(-n4ccnc4)c4oc5ccccc5c4c3)c2)nc1
InChIInChI=1S/C26H17N3O3/c1-2-9-24-21(8-1)22-15-20(16-23(26(22)32-24)29-13-12-27-17-29)30-18-6-5-7-19(14-18)31-25-10-3-4-11-28-25/h1-17H
InChIKeyYPYLCTFXPOHITD-UHFFFAOYSA-N
MW419.44 g/mol
LogP6.75
Rot. Bonds5

About 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine

2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine (PubChem CID 139493757) has the molecular formula C26H17N3O3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine.

Molecular Properties

Compound Name2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
PubChem CID139493757
Molecular FormulaC26H17N3O3
Molecular Weight419.44 g/mol
Exact Mass419.13
IUPAC Name2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
SMILESc1ccc(Oc2cccc(Oc3cc(-n4ccnc4)c4oc5ccccc5c4c3)c2)nc1
InChIInChI=1S/C26H17N3O3/c1-2-9-24-21(8-1)22-15-20(16-23(26(22)32-24)29-13-12-27-17-29)30-18-6-5-7-19(14-18)31-25-10-3-4-11-28-25/h1-17H
InChIKeyYPYLCTFXPOHITD-UHFFFAOYSA-N
XLogP6.75
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-pyridin-2-yloxydibenzofuran-4-yl)oxydibenzofuran-2-yl]oxypyridine
CID 153431810
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
2-(8-bromodibenzofuran-2-yl)oxypyridine
CID 139515976
2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
CID 140818836
1-[8-[6-(6-imidazol-1-yldibenzofuran-2-yl)thieno[2,3-f][1]benzothiol-2-yl]dibenzothiophen-4-yl]imidazole
CID 152814481
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole
CID 175851025
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
CID 158147449
9-[1-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]imidazol-4-yl]carbazole
CID 158386761
ethanone;palladium;palladium(2+);2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxyphenoxy)phenoxy]pyridine
CID 159087570

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine?
The IUPAC name of 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine (CID 139493757) is 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine.
What is the SMILES notation for 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine?
The canonical SMILES for 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine is c1ccc(Oc2cccc(Oc3cc(-n4ccnc4)c4oc5ccccc5c4c3)c2)nc1.
What is the InChIKey of 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine?
The InChIKey is YPYLCTFXPOHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O3/c1-2-9-24-21(8-1)22-15-20(16-23(26(22)32-24)29-13-12-27-17-29)30-18-6-5-7-19(14-18)31-25-10-3-4-11-28-25/h1-17H.
What are the key properties of 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine?
2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine has a molecular weight of 419.44 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine is sourced from PubChem (CID 139493757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).