2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole

C34H24F2N2O — CID 156657519

IUPAC2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3cccc(-c5cc(F)cc(F)c5)c34)nc3ccccc32)c(C)c1
InChIInChI=1S/C34H24F2N2O/c1-19-14-20(2)32(21(3)15-19)38-29-12-5-4-11-28(29)37-34(38)27-10-6-9-26-31-25(8-7-13-30(31)39-33(26)27)22-16-23(35)18-24(36)17-22/h4-18H,1-3H3
InChIKeyBZJOFMUXFYLVID-UHFFFAOYSA-N
MW514.58 g/mol
LogP9.46
Rot. Bonds3

About 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole

2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole (PubChem CID 156657519) has the molecular formula C34H24F2N2O and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
PubChem CID156657519
Molecular FormulaC34H24F2N2O
Molecular Weight514.58 g/mol
Exact Mass514.19
IUPAC Name2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3cccc(-c5cc(F)cc(F)c5)c34)nc3ccccc32)c(C)c1
InChIInChI=1S/C34H24F2N2O/c1-19-14-20(2)32(21(3)15-19)38-29-12-5-4-11-28(29)37-34(38)27-10-6-9-26-31-25(8-7-13-30(31)39-33(26)27)22-16-23(35)18-24(36)17-22/h4-18H,1-3H3
InChIKeyBZJOFMUXFYLVID-UHFFFAOYSA-N
XLogP9.46
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 176644255
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
2-[9-methyl-7-(trideuteriomethyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 159199965
2-(9-fluorodibenzofuran-4-yl)-1-naphthalen-1-ylbenzimidazole
CID 156658241
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
CID 164825451
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669597
5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668836

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole?
The IUPAC name of 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole (CID 156657519) is 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole.
What is the SMILES notation for 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole?
The canonical SMILES for 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole is Cc1cc(C)c(-n2c(-c3cccc4c3oc3cccc(-c5cc(F)cc(F)c5)c34)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole?
The InChIKey is BZJOFMUXFYLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F2N2O/c1-19-14-20(2)32(21(3)15-19)38-29-12-5-4-11-28(29)37-34(38)27-10-6-9-26-31-25(8-7-13-30(31)39-33(26)27)22-16-23(35)18-24(36)17-22/h4-18H,1-3H3.
What are the key properties of 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole?
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole has a molecular weight of 514.58 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole is sourced from PubChem (CID 156657519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).