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

C28H23N3O — CID 156669036

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3ccc(C)c4c3oc3ncccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H23N3O/c1-16-14-18(3)25(19(4)15-16)31-23-10-6-5-9-22(23)30-27(31)21-12-11-17(2)24-20-8-7-13-29-28(20)32-26(21)24/h5-15H,1-4H3
InChIKeyRVZJFYDFIJBAIC-UHFFFAOYSA-N
MW417.51 g/mol
LogP7.22
Rot. Bonds2

About 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669036) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156669036
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3ccc(C)c4c3oc3ncccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H23N3O/c1-16-14-18(3)25(19(4)15-16)31-23-10-6-5-9-22(23)30-27(31)21-12-11-17(2)24-20-8-7-13-29-28(20)32-26(21)24/h5-15H,1-4H3
InChIKeyRVZJFYDFIJBAIC-UHFFFAOYSA-N
XLogP7.22
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156669036) is 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)c(-n2c(-c3ccc(C)c4c3oc3ncccc34)nc3ccccc32)c(C)c1.
What is the InChIKey of 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is RVZJFYDFIJBAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-16-14-18(3)25(19(4)15-16)31-23-10-6-5-9-22(23)30-27(31)21-12-11-17(2)24-20-8-7-13-29-28(20)32-26(21)24/h5-15H,1-4H3.
What are the key properties of 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 417.51 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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