8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine

C36H31N3O — CID 156671586

IUPAC8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3-c3ccccc3)ccc(C)c12
InChIInChI=1S/C36H31N3O/c1-22-15-18-27(33-32(22)26-19-16-23(2)37-35(26)40-33)34-38-29-13-9-10-14-31(29)39(34)30-20-17-25(36(3,4)5)21-28(30)24-11-7-6-8-12-24/h6-21H,1-5H3
InChIKeyUYUPERWEUYINPY-UHFFFAOYSA-N
MW521.66 g/mol
LogP9.57
Rot. Bonds3

About 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156671586) has the molecular formula C36H31N3O and a molecular weight of 521.66 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156671586
Molecular FormulaC36H31N3O
Molecular Weight521.66 g/mol
Exact Mass521.25
IUPAC Name8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3-c3ccccc3)ccc(C)c12
InChIInChI=1S/C36H31N3O/c1-22-15-18-27(33-32(22)26-19-16-23(2)37-35(26)40-33)34-38-29-13-9-10-14-31(29)39(34)30-20-17-25(36(3,4)5)21-28(30)24-11-7-6-8-12-24/h6-21H,1-5H3
InChIKeyUYUPERWEUYINPY-UHFFFAOYSA-N
XLogP9.57
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156670369
2-tert-butyl-8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668434
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668870
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668354
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050
1-(4-tert-butyl-2-phenylphenyl)-2-[7-(2,2-dimethylpropyl)dibenzothiophen-4-yl]benzimidazole
CID 156657761
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156667594
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
2-[1-methyl-7-[4-(trideuteriomethyl)phenyl]dibenzothiophen-4-yl]-1-[2-phenyl-4-(trifluoromethyl)phenyl]benzimidazole
CID 156657468
1-(4-tert-butyl-2-phenylphenyl)-2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 170983146
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156672253

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 156671586) is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(C(C)(C)C)cc3-c3ccccc3)ccc(C)c12.
What is the InChIKey of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UYUPERWEUYINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3O/c1-22-15-18-27(33-32(22)26-19-16-23(2)37-35(26)40-33)34-38-29-13-9-10-14-31(29)39(34)30-20-17-25(36(3,4)5)21-28(30)24-11-7-6-8-12-24/h6-21H,1-5H3.
What are the key properties of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 521.66 g/mol, XLogP of 9.57, 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-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156671586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).