8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

C27H21N3O — CID 156669778

IUPAC8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3ncccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C27H21N3O/c1-16-14-17(2)24(18(3)15-16)30-23-12-5-4-11-22(23)29-26(30)21-9-6-8-19-20-10-7-13-28-27(20)31-25(19)21/h4-15H,1-3H3
InChIKeyFQTKALUILBCSMS-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.91
Rot. Bonds2

About 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669778) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156669778
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC Name8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3ncccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C27H21N3O/c1-16-14-17(2)24(18(3)15-16)30-23-12-5-4-11-22(23)29-26(30)21-9-6-8-19-20-10-7-13-28-27(20)31-25(19)21/h4-15H,1-3H3
InChIKeyFQTKALUILBCSMS-UHFFFAOYSA-N
XLogP6.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 176644255
8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669158
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669597
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156667757
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156668797
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
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 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156669778) is 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)c(-n2c(-c3cccc4c3oc3ncccc34)nc3ccccc32)c(C)c1.
What is the InChIKey of 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is FQTKALUILBCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O/c1-16-14-17(2)24(18(3)15-16)30-23-12-5-4-11-22(23)29-26(30)21-9-6-8-19-20-10-7-13-28-27(20)31-25(19)21/h4-15H,1-3H3.
What are the key properties of 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 403.49 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).