7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine

C26H25N3O — CID 86711088

IUPAC7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1cc2c(oc3ncccc32)c(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C26H25N3O/c1-16(2)20-15-21-19-11-8-12-28-26(19)30-24(21)22(17(3)4)23(20)29-14-13-27-25(29)18-9-6-5-7-10-18/h5-17H,1-4H3
InChIKeyLEKJDJUISWICSE-UHFFFAOYSA-N
MW395.51 g/mol
LogP7.08
Rot. Bonds4

About 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine

7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 86711088) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID86711088
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1cc2c(oc3ncccc32)c(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C26H25N3O/c1-16(2)20-15-21-19-11-8-12-28-26(19)30-24(21)22(17(3)4)23(20)29-14-13-27-25(29)18-9-6-5-7-10-18/h5-17H,1-4H3
InChIKeyLEKJDJUISWICSE-UHFFFAOYSA-N
XLogP7.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole
CID 160847265
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 158080257
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 86711088) is 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine is CC(C)c1cc2c(oc3ncccc32)c(C(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LEKJDJUISWICSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16(2)20-15-21-19-11-8-12-28-26(19)30-24(21)22(17(3)4)23(20)29-14-13-27-25(29)18-9-6-5-7-10-18/h5-17H,1-4H3.
What are the key properties of 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine?
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 395.51 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 86711088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).