2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine

C27H21N3O3 — CID 153431950

IUPAC2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
SMILESCN1C=CN(c2cccc(Oc3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c2)C1
InChIInChI=1S/C27H21N3O3/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-24-27(22-9-2-3-10-23(22)32-24)25(17-21)33-26-11-4-5-12-28-26/h2-17H,18H2,1H3
InChIKeyOFLSFTWDJBCXKS-UHFFFAOYSA-N
MW435.48 g/mol
LogP6.75
Rot. Bonds5

About 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine (PubChem CID 153431950) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine.

Molecular Properties

Compound Name2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
PubChem CID153431950
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
SMILESCN1C=CN(c2cccc(Oc3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c2)C1
InChIInChI=1S/C27H21N3O3/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-24-27(22-9-2-3-10-23(22)32-24)25(17-21)33-26-11-4-5-12-28-26/h2-17H,18H2,1H3
InChIKeyOFLSFTWDJBCXKS-UHFFFAOYSA-N
XLogP6.75
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
CID 153495046
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
CID 155650282
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
2-[4-(2-pyridin-2-yloxydibenzofuran-4-yl)oxydibenzofuran-2-yl]oxypyridine
CID 153431810
2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
CID 153494999
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
CID 155635818
2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
CID 140818836

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine?
The IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine (CID 153431950) is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine.
What is the SMILES notation for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine?
The canonical SMILES for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine is CN1C=CN(c2cccc(Oc3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c2)C1.
What is the InChIKey of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine?
The InChIKey is OFLSFTWDJBCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-29-13-14-30(18-29)19-7-6-8-20(15-19)31-21-16-24-27(22-9-2-3-10-23(22)32-24)25(17-21)33-26-11-4-5-12-28-26/h2-17H,18H2,1H3.
What are the key properties of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine?
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine has a molecular weight of 435.48 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-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine is sourced from PubChem (CID 153431950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).