2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine

C27H21N3OS — CID 140819108

IUPAC2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine
SMILESCN1CN(c2cccc(Oc3ccccn3)c2)C=C1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C27H21N3OS/c1-29-18-30(20-7-6-8-21(16-20)31-27-11-4-5-14-28-27)17-24(29)19-12-13-23-22-9-2-3-10-25(22)32-26(23)15-19/h2-17H,18H2,1H3
InChIKeyNKVRKFZHQCRJPH-UHFFFAOYSA-N
MW435.55 g/mol
LogP6.95
Rot. Bonds4

About 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine

2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine (PubChem CID 140819108) has the molecular formula C27H21N3OS and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine
PubChem CID140819108
Molecular FormulaC27H21N3OS
Molecular Weight435.55 g/mol
Exact Mass435.14
IUPAC Name2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine
SMILESCN1CN(c2cccc(Oc3ccccn3)c2)C=C1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C27H21N3OS/c1-29-18-30(20-7-6-8-21(16-20)31-27-11-4-5-14-28-27)17-24(29)19-12-13-23-22-9-2-3-10-25(22)32-26(23)15-19/h2-17H,18H2,1H3
InChIKeyNKVRKFZHQCRJPH-UHFFFAOYSA-N
XLogP6.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
CID 140818836
3-(3-iodophenyl)dibenzothiophene
CID 156570976
2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxyphenyl)pyridine
CID 140818943
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
2-[1-methyl-3-[3-[3-(3-methyl-5-pyridin-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-4-yl]pyridine
CID 140731099
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
ethane;2-phenoxypyridine
CID 90835857
2-[3-[2-(3-methyl-2H-imidazol-1-yl)-5-phenylbenzo[b][1,4]benzophosphaborinin-10-yl]phenoxy]pyridine
CID 153494999
2-[[4-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine;platinum
CID 153432004
7,10-bis[3-(3-dibenzothiophen-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine?
The IUPAC name of 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine (CID 140819108) is 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine.
What is the SMILES notation for 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine?
The canonical SMILES for 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine is CN1CN(c2cccc(Oc3ccccn3)c2)C=C1c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine?
The InChIKey is NKVRKFZHQCRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3OS/c1-29-18-30(20-7-6-8-21(16-20)31-27-11-4-5-14-28-27)17-24(29)19-12-13-23-22-9-2-3-10-25(22)32-26(23)15-19/h2-17H,18H2,1H3.
What are the key properties of 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine?
2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine has a molecular weight of 435.55 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-dibenzothiophen-3-yl-3-methyl-2H-imidazol-1-yl)phenoxy]pyridine is sourced from PubChem (CID 140819108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).