8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine

C30H27N3O — CID 156669050

IUPAC8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3nc(C(C)(C)C)ccc3c12
InChIInChI=1S/C30H27N3O/c1-19-14-15-22(27-26(19)21-16-17-25(30(2,3)4)32-29(21)34-27)28-31-23-12-8-9-13-24(23)33(28)18-20-10-6-5-7-11-20/h5-17H,18H2,1-4H3
InChIKeyDQTRIBVFAIXYMX-UHFFFAOYSA-N
MW445.57 g/mol
LogP7.65
Rot. Bonds3

About 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine

8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669050) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156669050
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3nc(C(C)(C)C)ccc3c12
InChIInChI=1S/C30H27N3O/c1-19-14-15-22(27-26(19)21-16-17-25(30(2,3)4)32-29(21)34-27)28-31-23-12-8-9-13-24(23)33(28)18-20-10-6-5-7-11-20/h5-17H,18H2,1-4H3
InChIKeyDQTRIBVFAIXYMX-UHFFFAOYSA-N
XLogP7.65
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-benzylbenzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669661
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-benzylbenzimidazol-2-yl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 156667552
2-tert-butyl-5-methyl-8-[1-(2,4,6-trimethylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668881
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
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-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156670369
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
CID 156671268

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine (CID 156669050) is 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c2oc3nc(C(C)(C)C)ccc3c12.
What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DQTRIBVFAIXYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-19-14-15-22(27-26(19)21-16-17-25(30(2,3)4)32-29(21)34-27)28-31-23-12-8-9-13-24(23)33(28)18-20-10-6-5-7-11-20/h5-17H,18H2,1-4H3.
What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine?
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 445.57 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).