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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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).