1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one

C21H11Cl3N4O — CID 44517354

IUPAC1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one
SMILESO=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H11Cl3N4O/c22-12-5-7-13(8-6-12)27-19-20(26-18-4-2-1-3-17(18)25-19)28(21(27)29)14-9-10-15(23)16(24)11-14/h1-11H
InChIKeyWASZFKLGQDFTQE-UHFFFAOYSA-N
MW441.71 g/mol
LogP5.68
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one

1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one (PubChem CID 44517354) has the molecular formula C21H11Cl3N4O and a molecular weight of 441.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one
PubChem CID44517354
Molecular FormulaC21H11Cl3N4O
Molecular Weight441.71 g/mol
Exact Mass440.00
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one
SMILESO=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H11Cl3N4O/c22-12-5-7-13(8-6-12)27-19-20(26-18-4-2-1-3-17(18)25-19)28(21(27)29)14-9-10-15(23)16(24)11-14/h1-11H
InChIKeyWASZFKLGQDFTQE-UHFFFAOYSA-N
XLogP5.68
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.71
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-bis(3,4-dichloroanilino)quinoxalin-6-yl]acetamide
CID 155459055
7,8-Dichloro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxaline
CID 10735500
6-chloro-2-N,3-N-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 44531684
2-N,3-N-bis(3,4-dichlorophenyl)-6-pyrrolidin-1-ylquinoxaline-2,3-diamine
CID 155459054
2-N,3-N-bis(3,4-dichlorophenyl)quinoxaline-2,3,6-triamine
CID 155459077
N,N'-bis(4-chlorophenyl)quinoxaline-2,3-diamine
CID 468691
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)-
CID 3021484
3-(4-Chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one
CID 44517022
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(2-quinolinyl)-
CID 3021490
5-chloro-1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 44562567
4-(1H-benzo[d]imidazol-2-yl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 45553175
2-N,3-N-bis(3-chlorophenyl)quinoxaline-2,3-diamine
CID 39890591

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one (CID 44517354) is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one is O=c1n(-c2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one?
The InChIKey is WASZFKLGQDFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl3N4O/c22-12-5-7-13(8-6-12)27-19-20(26-18-4-2-1-3-17(18)25-19)28(21(27)29)14-9-10-15(23)16(24)11-14/h1-11H.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one?
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one has a molecular weight of 441.71 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one is sourced from PubChem (CID 44517354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).