8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine

C34H26FN3O — CID 156667450

IUPAC8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1
InChIInChI=1S/C34H26FN3O/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27/h4-20H,1-3H3
InChIKeyOSXHUYAJDGVEIK-UHFFFAOYSA-N
MW511.60 g/mol
LogP9.09
Rot. Bonds3

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667450) has the molecular formula C34H26FN3O and a molecular weight of 511.60 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID156667450
Molecular FormulaC34H26FN3O
Molecular Weight511.60 g/mol
Exact Mass511.21
IUPAC Name8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1
InChIInChI=1S/C34H26FN3O/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27/h4-20H,1-3H3
InChIKeyOSXHUYAJDGVEIK-UHFFFAOYSA-N
XLogP9.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156670457
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156671268
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
8-[1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(3,5-ditert-butylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 176646015
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine (CID 156667450) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine is CC(C)(C)c1ccc(-n2c(-c3cccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1.
What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OSXHUYAJDGVEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FN3O/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27/h4-20H,1-3H3.
What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 511.60 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).