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

C22H14Cl2N4 — CID 3355392

IUPAC2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline
SMILESClc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H14Cl2N4/c23-16-10-8-14(9-11-16)13-28-21(15-4-3-5-17(24)12-15)27-20-22(28)26-19-7-2-1-6-18(19)25-20/h1-12H,13H2
InChIKeyQEXGIGGQXJVETE-UHFFFAOYSA-N
MW405.29 g/mol
LogP6.00
Rot. Bonds3

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

2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline (PubChem CID 3355392) has the molecular formula C22H14Cl2N4 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline
PubChem CID3355392
Molecular FormulaC22H14Cl2N4
Molecular Weight405.29 g/mol
Exact Mass404.06
IUPAC Name2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline
SMILESClc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H14Cl2N4/c23-16-10-8-14(9-11-16)13-28-21(15-4-3-5-17(24)12-15)27-20-22(28)26-19-7-2-1-6-18(19)25-20/h1-12H,13H2
InChIKeyQEXGIGGQXJVETE-UHFFFAOYSA-N
XLogP6.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 3833514
3-(4-bromo-2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline
CID 4640709
2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 2005298
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
CID 2038367
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
8-(3-chlorophenyl)-7-[(4-chlorophenyl)methyl]-6-(cyclopropylmethylamino)purine-2-carboxylic acid
CID 90318278
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline (CID 3355392) is 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline is Clc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline?
The InChIKey is QEXGIGGQXJVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4/c23-16-10-8-14(9-11-16)13-28-21(15-4-3-5-17(24)12-15)27-20-22(28)26-19-7-2-1-6-18(19)25-20/h1-12H,13H2.
What are the key properties of 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline?
2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline has a molecular weight of 405.29 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3355392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).