6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one

C25H22N2O2 — CID 14712769

IUPAC6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)OC2c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C25H22N2O2/c1-26(2)17-13-14-18-20(15-17)25(28)29-24(18)22-19-11-7-8-12-21(19)27(3)23(22)16-9-5-4-6-10-16/h4-15,24H,1-3H3
InChIKeyPNJKLSIOUPBVNW-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.17
Rot. Bonds3

About 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one

6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one (PubChem CID 14712769) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one
PubChem CID14712769
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one
SMILESCN(C)c1ccc2c(c1)C(=O)OC2c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C25H22N2O2/c1-26(2)17-13-14-18-20(15-17)25(28)29-24(18)22-19-11-7-8-12-21(19)27(3)23(22)16-9-5-4-6-10-16/h4-15,24H,1-3H3
InChIKeyPNJKLSIOUPBVNW-UHFFFAOYSA-N
XLogP5.17
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one?
The IUPAC name of 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one (CID 14712769) is 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one is CN(C)c1ccc2c(c1)C(=O)OC2c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one?
The InChIKey is PNJKLSIOUPBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-26(2)17-13-14-18-20(15-17)25(28)29-24(18)22-19-11-7-8-12-21(19)27(3)23(22)16-9-5-4-6-10-16/h4-15,24H,1-3H3.
What are the key properties of 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one?
6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one has a molecular weight of 382.46 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-(1-methyl-2-phenylindol-3-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 14712769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).