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

C33H25NO3 — CID 166438265

IUPAC1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CCCc2oc(-c3ccc4ccccc4c3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C33H25NO3/c35-27-15-8-16-28-30(27)31(32(37-28)24-18-17-22-11-4-5-12-23(22)19-24)29-25-13-6-7-14-26(25)34(33(29)36)20-21-9-2-1-3-10-21/h1-7,9-14,17-19,29H,8,15-16,20H2
InChIKeyNYFBFAXCUBEBFZ-UHFFFAOYSA-N
MW483.57 g/mol
LogP7.30
Rot. Bonds4

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

1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (PubChem CID 166438265) has the molecular formula C33H25NO3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
PubChem CID166438265
Molecular FormulaC33H25NO3
Molecular Weight483.57 g/mol
Exact Mass483.18
IUPAC Name1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
SMILESO=C1CCCc2oc(-c3ccc4ccccc4c3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21
InChIInChI=1S/C33H25NO3/c35-27-15-8-16-28-30(27)31(32(37-28)24-18-17-22-11-4-5-12-23(22)19-24)29-25-13-6-7-14-26(25)34(33(29)36)20-21-9-2-1-3-10-21/h1-7,9-14,17-19,29H,8,15-16,20H2
InChIKeyNYFBFAXCUBEBFZ-UHFFFAOYSA-N
XLogP7.30
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one (CID 166438265) is 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is O=C1CCCc2oc(-c3ccc4ccccc4c3)c(C3C(=O)N(Cc4ccccc4)c4ccccc43)c21.
What is the InChIKey of 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
The InChIKey is NYFBFAXCUBEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO3/c35-27-15-8-16-28-30(27)31(32(37-28)24-18-17-22-11-4-5-12-23(22)19-24)29-25-13-6-7-14-26(25)34(33(29)36)20-21-9-2-1-3-10-21/h1-7,9-14,17-19,29H,8,15-16,20H2.
What are the key properties of 1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one?
1-benzyl-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one has a molecular weight of 483.57 g/mol, XLogP of 7.30, 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-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one is sourced from PubChem (CID 166438265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).