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

C41H36N4O — CID 156670671

IUPAC8-[1-(4-tert-butylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2ccc3nc(-c4ccc(C)c5c4oc4nc(-c6c(C)cccc6C)ccc45)n(-c4ccc(C(C)(C)C)cc4)c3c2n1
InChIInChI=1S/C41H36N4O/c1-23-9-8-10-24(2)34(23)32-22-20-30-35-25(3)11-19-31(38(35)46-40(30)44-32)39-43-33-21-14-27-13-12-26(4)42-36(27)37(33)45(39)29-17-15-28(16-18-29)41(5,6)7/h8-22H,1-7H3
InChIKeyWXDKKKXHJATZCR-UHFFFAOYSA-N
MW600.77 g/mol
LogP10.73
Rot. Bonds3

About 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

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 (PubChem CID 156670671) has the molecular formula C41H36N4O and a molecular weight of 600.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[1-(4-tert-butylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156670671
Molecular FormulaC41H36N4O
Molecular Weight600.77 g/mol
Exact Mass600.29
IUPAC Name8-[1-(4-tert-butylphenyl)-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2ccc3nc(-c4ccc(C)c5c4oc4nc(-c6c(C)cccc6C)ccc45)n(-c4ccc(C(C)(C)C)cc4)c3c2n1
InChIInChI=1S/C41H36N4O/c1-23-9-8-10-24(2)34(23)32-22-20-30-35-25(3)11-19-31(38(35)46-40(30)44-32)39-43-33-21-14-27-13-12-26(4)42-36(27)37(33)45(39)29-17-15-28(16-18-29)41(5,6)7/h8-22H,1-7H3
InChIKeyWXDKKKXHJATZCR-UHFFFAOYSA-N
XLogP10.73
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668442
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
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
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 156671586
2-tert-butyl-5-methyl-8-[1-(2,4,6-trimethylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668881
2-(2,2-dimethylpropyl)-8-[8-methyl-1-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 176644390
5-methyl-8-pyridin-2-yl-2-(2,4,6-trimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 155611770
8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 156670369
8-(1-tert-butylbenzo[e]benzimidazol-2-yl)-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156668121
2,5-dimethyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166498770
8-(1-benzylbenzimidazol-2-yl)-2-tert-butyl-5-methyl-[1]benzofuro[2,3-b]pyridine
CID 156669050

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2ccc3nc(-c4ccc(C)c5c4oc4nc(-c6c(C)cccc6C)ccc45)n(-c4ccc(C(C)(C)C)cc4)c3c2n1.
What is the InChIKey of 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?
The InChIKey is WXDKKKXHJATZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O/c1-23-9-8-10-24(2)34(23)32-22-20-30-35-25(3)11-19-31(38(35)46-40(30)44-32)39-43-33-21-14-27-13-12-26(4)42-36(27)37(33)45(39)29-17-15-28(16-18-29)41(5,6)7/h8-22H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 600.77 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156670671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).