3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

C21H16N4O — CID 930770

IUPAC3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCCc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1
InChIInChI=1S/C21H16N4O/c1-2-14-7-5-8-15(13-14)25-20(18-11-6-12-26-18)24-19-21(25)23-17-10-4-3-9-16(17)22-19/h3-13H,2H2,1H3
InChIKeyPJNDSAMPJMZCOB-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.79
Rot. Bonds3

About 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline

3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (PubChem CID 930770) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
PubChem CID930770
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
SMILESCCc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1
InChIInChI=1S/C21H16N4O/c1-2-14-7-5-8-15(13-14)25-20(18-11-6-12-26-18)24-19-21(25)23-17-10-4-3-9-16(17)22-19/h3-13H,2H2,1H3
InChIKeyPJNDSAMPJMZCOB-UHFFFAOYSA-N
XLogP4.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

AC1903
CID 667146
2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
7-[2-(Furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 67889361
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208249
7-[2-(Furan-3-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76322025
2-Ethyl-1-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 556949
1-ethyl-2-(furan-2-yl)-1H-benzo[d]imidazole
CID 962232
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline (CID 930770) is 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is CCc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1.
What is the InChIKey of 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
The InChIKey is PJNDSAMPJMZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-14-7-5-8-15(13-14)25-20(18-11-6-12-26-18)24-19-21(25)23-17-10-4-3-9-16(17)22-19/h3-13H,2H2,1H3.
What are the key properties of 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline?
3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline has a molecular weight of 340.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 930770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).