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

C33H25N3O — CID 156670300

IUPAC2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C33H25N3O/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26/h4-19H,1-3H3
InChIKeyHDVWYBXQMBLGIB-UHFFFAOYSA-N
MW479.58 g/mol
LogP8.58
Rot. Bonds3

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

2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156670300) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156670300
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC Name2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(C)c(-n2c(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1
InChIInChI=1S/C33H25N3O/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26/h4-19H,1-3H3
InChIKeyHDVWYBXQMBLGIB-UHFFFAOYSA-N
XLogP8.58
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
8-(1-methylbenzimidazol-2-yl)-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156670394
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669597
2-phenyl-8-(1-propan-2-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 156669508
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
4-[8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051864
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668460
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
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021274

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156670300) is 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)c(-n2c(-c3cccc4c3oc3nc(-c5ccccc5)ccc34)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HDVWYBXQMBLGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c1-20-18-21(2)30(22(3)19-20)36-29-15-8-7-14-28(29)34-32(36)26-13-9-12-24-25-16-17-27(23-10-5-4-6-11-23)35-33(25)37-31(24)26/h4-19H,1-3H3.
What are the key properties of 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 479.58 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156670300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).