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

C29H23NO3 — CID 166438288

IUPAC1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CCCc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C29H23NO3/c31-23-16-9-17-24-26(23)27(28(33-24)20-12-5-2-6-13-20)25-21-14-7-8-15-22(21)30(29(25)32)18-19-10-3-1-4-11-19/h1-8,10-15,25H,9,16-18H2
InChIKeyYPAOJFNFKUJKST-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.14
Rot. Bonds4

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

1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (PubChem CID 166438288) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
PubChem CID166438288
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CCCc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C29H23NO3/c31-23-16-9-17-24-26(23)27(28(33-24)20-12-5-2-6-13-20)25-21-14-7-8-15-22(21)30(29(25)32)18-19-10-3-1-4-11-19/h1-8,10-15,25H,9,16-18H2
InChIKeyYPAOJFNFKUJKST-UHFFFAOYSA-N
XLogP6.14
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (CID 166438288) is 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is O=C1CCCc2oc(-c3ccccc3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21.
What is the InChIKey of 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The InChIKey is YPAOJFNFKUJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c31-23-16-9-17-24-26(23)27(28(33-24)20-12-5-2-6-13-20)25-21-14-7-8-15-22(21)30(29(25)32)18-19-10-3-1-4-11-19/h1-8,10-15,25H,9,16-18H2.
What are the key properties of 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one has a molecular weight of 433.51 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-oxo-2-phenyl-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is sourced from PubChem (CID 166438288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).