2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline

C28H28N4 — CID 3714493

IUPAC2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C28H28N4/c1-18(2)19-12-16-22(17-13-19)32-26(20-10-14-21(15-11-20)28(3,4)5)31-25-27(32)30-24-9-7-6-8-23(24)29-25/h6-18H,1-5H3
InChIKeyGMDUJFOTTOPNDT-UHFFFAOYSA-N
MW420.56 g/mol
LogP7.06
Rot. Bonds3

About 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline

2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline (PubChem CID 3714493) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline
PubChem CID3714493
Molecular FormulaC28H28N4
Molecular Weight420.56 g/mol
Exact Mass420.23
IUPAC Name2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline
SMILESCC(C)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C28H28N4/c1-18(2)19-12-16-22(17-13-19)32-26(20-10-14-21(15-11-20)28(3,4)5)31-25-27(32)30-24-9-7-6-8-23(24)29-25/h6-18H,1-5H3
InChIKeyGMDUJFOTTOPNDT-UHFFFAOYSA-N
XLogP7.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 920331
N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
CID 7459680
3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
CID 3791638
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
CID 2331215
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
9-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[4-phenyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 158512699
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 155173829
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
2-[4-[4-(6-tert-butylnaphthalen-1-yl)-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole;1-[4-[4-naphthalen-2-yl-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[4-(3,4,5-trimethylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole;2-phenyl-1-[4-[4-phenyl-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 162013546

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline (CID 3714493) is 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline is CC(C)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is GMDUJFOTTOPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4/c1-18(2)19-12-16-22(17-13-19)32-26(20-10-14-21(15-11-20)28(3,4)5)31-25-27(32)30-24-9-7-6-8-23(24)29-25/h6-18H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline?
2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 420.56 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3714493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).