8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

C37H22F3N3O — CID 156670151

IUPAC8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESFC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cccc3-c3ccccc3)cccc12
InChIInChI=1S/C37H22F3N3O/c38-37(39,40)32-22-21-28-27-17-10-18-29(34(27)44-36(28)42-32)35-41-30-19-7-8-20-31(30)43(35)33-25(23-11-3-1-4-12-23)15-9-16-26(33)24-13-5-2-6-14-24/h1-22H
InChIKeyFEPBYDXUBHCKEX-UHFFFAOYSA-N
MW581.60 g/mol
LogP10.34
Rot. Bonds4

About 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine

8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156670151) has the molecular formula C37H22F3N3O and a molecular weight of 581.60 g/mol. Its IUPAC name is 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156670151
Molecular FormulaC37H22F3N3O
Molecular Weight581.60 g/mol
Exact Mass581.17
IUPAC Name8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
SMILESFC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cccc3-c3ccccc3)cccc12
InChIInChI=1S/C37H22F3N3O/c38-37(39,40)32-22-21-28-27-17-10-18-29(34(27)44-36(28)42-32)35-41-30-19-7-8-20-31(30)43(35)33-25(23-11-3-1-4-12-23)15-9-16-26(33)24-13-5-2-6-14-24/h1-22H
InChIKeyFEPBYDXUBHCKEX-UHFFFAOYSA-N
XLogP10.34
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.60
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669597
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 156659584
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 167387931

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine (CID 156670151) is 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is FC(F)(F)c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cccc3-c3ccccc3)cccc12.
What is the InChIKey of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FEPBYDXUBHCKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F3N3O/c38-37(39,40)32-22-21-28-27-17-10-18-29(34(27)44-36(28)42-32)35-41-30-19-7-8-20-31(30)43(35)33-25(23-11-3-1-4-12-23)15-9-16-26(33)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine?
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 581.60 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).