7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

C32H26N4O3 — CID 123949552

IUPAC7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCC(C)(O)Cn1c(-c2ccc3oc4ccccc4c3c2)nc2cc3[nH]c(=O)c(Cc4ccccc4)nc3cc21
InChIInChI=1S/C32H26N4O3/c1-32(2,38)18-36-27-17-24-23(35-31(37)26(33-24)14-19-8-4-3-5-9-19)16-25(27)34-30(36)20-12-13-29-22(15-20)21-10-6-7-11-28(21)39-29/h3-13,15-17,38H,14,18H2,1-2H3,(H,35,37)
InChIKeyUZKZRQPJCAERER-UHFFFAOYSA-N
MW514.59 g/mol
LogP6.20
Rot. Bonds5

About 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 123949552) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID123949552
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC Name7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESCC(C)(O)Cn1c(-c2ccc3oc4ccccc4c3c2)nc2cc3[nH]c(=O)c(Cc4ccccc4)nc3cc21
InChIInChI=1S/C32H26N4O3/c1-32(2,38)18-36-27-17-24-23(35-31(37)26(33-24)14-19-8-4-3-5-9-19)16-25(27)34-30(36)20-12-13-29-22(15-20)21-10-6-7-11-28(21)39-29/h3-13,15-17,38H,14,18H2,1-2H3,(H,35,37)
InChIKeyUZKZRQPJCAERER-UHFFFAOYSA-N
XLogP6.20
TPSA96.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzyl-1-(2-phenylethyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 70797051
7-benzyl-2-[4-[6-(hydroxymethyl)-2-pyridinyl]phenyl]-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 123999098
1-butyl-2-(4-tert-butylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
CID 24789779
1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
CID 156659698
9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
CID 171052174
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916089
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CID 170318792
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
CID 163623058
CID 163623058
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (CID 123949552) is 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is CC(C)(O)Cn1c(-c2ccc3oc4ccccc4c3c2)nc2cc3[nH]c(=O)c(Cc4ccccc4)nc3cc21.
What is the InChIKey of 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is UZKZRQPJCAERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-32(2,38)18-36-27-17-24-23(35-31(37)26(33-24)14-19-8-4-3-5-9-19)16-25(27)34-30(36)20-12-13-29-22(15-20)21-10-6-7-11-28(21)39-29/h3-13,15-17,38H,14,18H2,1-2H3,(H,35,37).
What are the key properties of 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 514.59 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-dibenzofuran-2-yl-1-(2-hydroxy-2-methylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 123949552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).