8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine

C43H37N3O — CID 156668354

IUPAC8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)ccc(C)c12
InChIInChI=1S/C43H37N3O/c1-26-13-12-14-27(2)38(26)35-23-22-31-39-28(3)19-21-32(40(39)47-42(31)45-35)41-44-34-17-10-11-18-37(34)46(41)36-24-20-30(25-33(36)43(4,5)6)29-15-8-7-9-16-29/h7-25H,1-6H3
InChIKeyLVGFXRNLGSQTOB-UHFFFAOYSA-N
MW611.79 g/mol
LogP11.54
Rot. Bonds4

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

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668354) has the molecular formula C43H37N3O and a molecular weight of 611.79 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156668354
Molecular FormulaC43H37N3O
Molecular Weight611.79 g/mol
Exact Mass611.29
IUPAC Name8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)ccc(C)c12
InChIInChI=1S/C43H37N3O/c1-26-13-12-14-27(2)38(26)35-23-22-31-39-28(3)19-21-32(40(39)47-42(31)45-35)41-44-34-17-10-11-18-37(34)46(41)36-24-20-30(25-33(36)43(4,5)6)29-15-8-7-9-16-29/h7-25H,1-6H3
InChIKeyLVGFXRNLGSQTOB-UHFFFAOYSA-N
XLogP11.54
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156670369
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
CID 156657222
8-[1-(4-tert-butylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156670671
2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667515
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
8-[1-(2-tert-butyl-4-phenylphenyl)-6-methylbenzimidazol-2-yl]-2-(cyclopentylmethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669728
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
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine (CID 156668354) is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine is Cc1cccc(C)c1-c1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)ccc(C)c12.
What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LVGFXRNLGSQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3O/c1-26-13-12-14-27(2)38(26)35-23-22-31-39-28(3)19-21-32(40(39)47-42(31)45-35)41-44-34-17-10-11-18-37(34)46(41)36-24-20-30(25-33(36)43(4,5)6)29-15-8-7-9-16-29/h7-25H,1-6H3.
What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine?
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 611.79 g/mol, XLogP of 11.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).