3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline

C19H10Cl2N4S — CID 3495930

IUPAC3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESClc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1Cl
InChIInChI=1S/C19H10Cl2N4S/c20-12-8-7-11(10-13(12)21)25-18(16-6-3-9-26-16)24-17-19(25)23-15-5-2-1-4-14(15)22-17/h1-10H
InChIKeyDTXNLYFDIJATNP-UHFFFAOYSA-N
MW397.29 g/mol
LogP6.00
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline

3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (PubChem CID 3495930) has the molecular formula C19H10Cl2N4S and a molecular weight of 397.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
PubChem CID3495930
Molecular FormulaC19H10Cl2N4S
Molecular Weight397.29 g/mol
Exact Mass396.00
IUPAC Name3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
SMILESClc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1Cl
InChIInChI=1S/C19H10Cl2N4S/c20-12-8-7-11(10-13(12)21)25-18(16-6-3-9-26-16)24-17-19(25)23-15-5-2-1-4-14(15)22-17/h1-10H
InChIKeyDTXNLYFDIJATNP-UHFFFAOYSA-N
XLogP6.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.29
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2015262
3-[(2S)-butan-2-yl]-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 943558
3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 1116973
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600
3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 920331
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 921658
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
CID 3791638
3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654519
2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline
CID 3714493
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
3-pyridin-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 702514

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline (CID 3495930) is 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is Clc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
The InChIKey is DTXNLYFDIJATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N4S/c20-12-8-7-11(10-13(12)21)25-18(16-6-3-9-26-16)24-17-19(25)23-15-5-2-1-4-14(15)22-17/h1-10H.
What are the key properties of 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline?
3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline has a molecular weight of 397.29 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3495930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).