2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

C38H30N4O — CID 156668442

IUPAC2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2ccc3nc(-c4cccc5c4oc4nc(C(C)(C)C)ccc45)n(-c4ccc(-c5ccccc5)cc4)c3c2n1
InChIInChI=1S/C38H30N4O/c1-23-13-14-26-17-21-31-34(33(26)39-23)42(27-18-15-25(16-19-27)24-9-6-5-7-10-24)36(40-31)30-12-8-11-28-29-20-22-32(38(2,3)4)41-37(29)43-35(28)30/h5-22H,1-4H3
InChIKeyXYDXDCVCBMUBTO-UHFFFAOYSA-N
MW558.69 g/mol
LogP9.81
Rot. Bonds3

About 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine

2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668442) has the molecular formula C38H30N4O and a molecular weight of 558.69 g/mol. Its IUPAC name is 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID156668442
Molecular FormulaC38H30N4O
Molecular Weight558.69 g/mol
Exact Mass558.24
IUPAC Name2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2ccc3nc(-c4cccc5c4oc4nc(C(C)(C)C)ccc45)n(-c4ccc(-c5ccccc5)cc4)c3c2n1
InChIInChI=1S/C38H30N4O/c1-23-13-14-26-17-21-31-34(33(26)39-23)42(27-18-15-25(16-19-27)24-9-6-5-7-10-24)36(40-31)30-12-8-11-28-29-20-22-32(38(2,3)4)41-37(29)43-35(28)30/h5-22H,1-4H3
InChIKeyXYDXDCVCBMUBTO-UHFFFAOYSA-N
XLogP9.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[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-(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
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
4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 164826545
2-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668098
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
8-[1-(2-tert-butyl-4-phenylphenyl)benzo[e]benzimidazol-2-yl]-2-(cyclopentylmethyl)-[1]benzofuro[2,3-b]pyridine
CID 156667612
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669597
8-[3-(4-tert-butyl-2,6-diphenylphenyl)-4,6-dimethylimidazo[4,5-c]pyridin-2-yl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 156667463
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 156670151
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-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825035
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156668442) is 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2ccc3nc(-c4cccc5c4oc4nc(C(C)(C)C)ccc45)n(-c4ccc(-c5ccccc5)cc4)c3c2n1.
What is the InChIKey of 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XYDXDCVCBMUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O/c1-23-13-14-26-17-21-31-34(33(26)39-23)42(27-18-15-25(16-19-27)24-9-6-5-7-10-24)36(40-31)30-12-8-11-28-29-20-22-32(38(2,3)4)41-37(29)43-35(28)30/h5-22H,1-4H3.
What are the key properties of 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine?
2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 558.69 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-[8-methyl-1-(4-phenylphenyl)imidazo[4,5-h]quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).