2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline

C20H20N4 — CID 942140

IUPAC2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccccc1-c1nc2nc3ccccc3nc2n1CC(C)C
InChIInChI=1S/C20H20N4/c1-13(2)12-24-19(15-9-5-4-8-14(15)3)23-18-20(24)22-17-11-7-6-10-16(17)21-18/h4-11,13H,12H2,1-3H3
InChIKeyCAQVGXRXKBXVJE-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline

2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline (PubChem CID 942140) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline
PubChem CID942140
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline
SMILESCc1ccccc1-c1nc2nc3ccccc3nc2n1CC(C)C
InChIInChI=1S/C20H20N4/c1-13(2)12-24-19(15-9-5-4-8-14(15)3)23-18-20(24)22-17-11-7-6-10-16(17)21-18/h4-11,13H,12H2,1-3H3
InChIKeyCAQVGXRXKBXVJE-UHFFFAOYSA-N
XLogP4.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-5-(2-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398656
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
2-[2-(2-methylphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 94742956
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium
CID 158788712
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline
CID 11085890
1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
CID 17000598
3-butyl-2-(2,4-dichlorophenyl)imidazo[4,5-b]quinoxaline
CID 2038367
3-(2-methylphenyl)-1-(2-methylpropyl)pyrazol-5-amine
CID 43381407
2-(4-chlorophenyl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 2005298
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline (CID 942140) is 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline is Cc1ccccc1-c1nc2nc3ccccc3nc2n1CC(C)C.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline?
The InChIKey is CAQVGXRXKBXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13(2)12-24-19(15-9-5-4-8-14(15)3)23-18-20(24)22-17-11-7-6-10-16(17)21-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline?
2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline has a molecular weight of 316.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-methylpropyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 942140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).