1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one

C30H25NO3 — CID 166438179

IUPAC1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one
SMILESCc1ccc(-c2oc3c(c2C2C(=O)N(Cc4ccccc4)c4ccccc42)C(=O)CCC3)cc1
InChIInChI=1S/C30H25NO3/c1-19-14-16-21(17-15-19)29-28(27-24(32)12-7-13-25(27)34-29)26-22-10-5-6-11-23(22)31(30(26)33)18-20-8-3-2-4-9-20/h2-6,8-11,14-17,26H,7,12-13,18H2,1H3
InChIKeyXGLJOKRVAZFOBR-UHFFFAOYSA-N
MW447.53 g/mol
LogP6.45
Rot. Bonds4

About 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one

1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one (PubChem CID 166438179) has the molecular formula C30H25NO3 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one
PubChem CID166438179
Molecular FormulaC30H25NO3
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC Name1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one
SMILESCc1ccc(-c2oc3c(c2C2C(=O)N(Cc4ccccc4)c4ccccc42)C(=O)CCC3)cc1
InChIInChI=1S/C30H25NO3/c1-19-14-16-21(17-15-19)29-28(27-24(32)12-7-13-25(27)34-29)26-22-10-5-6-11-23(22)31(30(26)33)18-20-8-3-2-4-9-20/h2-6,8-11,14-17,26H,7,12-13,18H2,1H3
InChIKeyXGLJOKRVAZFOBR-UHFFFAOYSA-N
XLogP6.45
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one with MolForge

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Related Compounds

2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 972947
1-[(6-Methyl-1-benzofuran-3-yl)acetyl]indoline
CID 2080542
1-(2,3-Dihydroindol-1-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 2678416
1-benzyl-3-hydroxy-3-[2-(5-methyl-2-furyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 2945500
1,3-Dihydro-1-methyl-3-(5-methyl-2-furanyl)-3-phenyl-2H-indol-2-one
CID 101572044
1-[5-[(2R,3S)-1-acetyl-2-(4-fluorophenyl)-2,3-dihydroindol-3-yl]-2-methylfuran-3-yl]ethanone
CID 132540914
1-methyl-1'-[(2-methyl-1-benzofuran-5-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one
CID 72858904
14-[4-(Dimethylamino)benzoyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-8,9-dione
CID 177659015
(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 26367368
3-[(5-Fluoro-3-methyl-1-benzofuran-2-YL)methyl]-1-methyl-2,3-dihydro-1H-indol-2-one
CID 43912425
(3S)-1-methyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3H-indol-2-one
CID 98160418
1-Benzyl-3-(2-oxo-2-(2-furanyl)ethyl)-oxindole
CID 51035327

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one (CID 166438179) is 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one is Cc1ccc(-c2oc3c(c2C2C(=O)N(Cc4ccccc4)c4ccccc42)C(=O)CCC3)cc1.
What is the InChIKey of 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one?
The InChIKey is XGLJOKRVAZFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO3/c1-19-14-16-21(17-15-19)29-28(27-24(32)12-7-13-25(27)34-29)26-22-10-5-6-11-23(22)31(30(26)33)18-20-8-3-2-4-9-20/h2-6,8-11,14-17,26H,7,12-13,18H2,1H3.
What are the key properties of 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one?
1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one has a molecular weight of 447.53 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl]-3H-indol-2-one is sourced from PubChem (CID 166438179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).