3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline

C19H16Cl2N4 — CID 2038367

IUPAC3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
SMILESCCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21
InChIInChI=1S/C19H16Cl2N4/c1-2-3-10-25-18(13-9-8-12(20)11-14(13)21)24-17-19(25)23-16-7-5-4-6-15(16)22-17/h4-9,11H,2-3,10H2,1H3
InChIKeyBXQUPZLNYQGSLH-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.75
Rot. Bonds4

About 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline

3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 2038367) has the molecular formula C19H16Cl2N4 and a molecular weight of 371.27 g/mol. Its IUPAC name is 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
PubChem CID2038367
Molecular FormulaC19H16Cl2N4
Molecular Weight371.27 g/mol
Exact Mass370.08
IUPAC Name3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
SMILESCCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21
InChIInChI=1S/C19H16Cl2N4/c1-2-3-10-25-18(13-9-8-12(20)11-14(13)21)24-17-19(25)23-16-7-5-4-6-15(16)22-17/h4-9,11H,2-3,10H2,1H3
InChIKeyBXQUPZLNYQGSLH-UHFFFAOYSA-N
XLogP5.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
3-cyclohexyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
CID 5183651
2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 2005298
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-(2,4-dichlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 16987747
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(2,4-dichlorophenyl)-1-hexyl-6-propylsulfanylbenzimidazole
CID 134084050
3-(3-ethoxypropyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 2017494
2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline
CID 3355392
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline (CID 2038367) is 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline is CCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21.
What is the InChIKey of 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is BXQUPZLNYQGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4/c1-2-3-10-25-18(13-9-8-12(20)11-14(13)21)24-17-19(25)23-16-7-5-4-6-15(16)22-17/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline?
3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 371.27 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2038367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).