3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline

C21H11BrCl2N4 — CID 4640709

IUPAC3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline
SMILESClc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C21H11BrCl2N4/c22-13-8-9-18(15(24)11-13)28-20(12-4-3-5-14(23)10-12)27-19-21(28)26-17-7-2-1-6-16(17)25-19/h1-11H
InChIKeyGBVRQRWYKNKLDE-UHFFFAOYSA-N
MW470.16 g/mol
LogP6.70
Rot. Bonds2

About 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline

3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 4640709) has the molecular formula C21H11BrCl2N4 and a molecular weight of 470.16 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline
PubChem CID4640709
Molecular FormulaC21H11BrCl2N4
Molecular Weight470.16 g/mol
Exact Mass467.95
IUPAC Name3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline
SMILESClc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C21H11BrCl2N4/c22-13-8-9-18(15(24)11-13)28-20(12-4-3-5-14(23)10-12)27-19-21(28)26-17-7-2-1-6-16(17)25-19/h1-11H
InChIKeyGBVRQRWYKNKLDE-UHFFFAOYSA-N
XLogP6.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.16
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline (CID 4640709) is 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline is Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is GBVRQRWYKNKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrCl2N4/c22-13-8-9-18(15(24)11-13)28-20(12-4-3-5-14(23)10-12)27-19-21(28)26-17-7-2-1-6-16(17)25-19/h1-11H.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline?
3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 470.16 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 4640709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).