3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

C23H20N4O3S — CID 2001676

IUPAC3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-18-13-11-17(12-14-18)15-26-16-27(31(28,29)19-7-3-2-4-8-19)23-22(26)24-20-9-5-6-10-21(20)25-23/h2-14H,15-16H2,1H3
InChIKeyZFYDTJMJCLPAHE-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.81
Rot. Bonds5

About 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2001676) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2001676
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-18-13-11-17(12-14-18)15-26-16-27(31(28,29)19-7-3-2-4-8-19)23-22(26)24-20-9-5-6-10-21(20)25-23/h2-14H,15-16H2,1H3
InChIKeyZFYDTJMJCLPAHE-UHFFFAOYSA-N
XLogP3.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (CID 2001676) is 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is COc1ccc(CN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is ZFYDTJMJCLPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-18-13-11-17(12-14-18)15-26-16-27(31(28,29)19-7-3-2-4-8-19)23-22(26)24-20-9-5-6-10-21(20)25-23/h2-14H,15-16H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 432.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2001676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).