2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one

C23H18N2O — CID 42598674

IUPAC2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one
SMILESCn1ccc2cc(N3Cc4ccc(-c5ccccc5)cc4C3=O)ccc21
InChIInChI=1S/C23H18N2O/c1-24-12-11-18-13-20(9-10-22(18)24)25-15-19-8-7-17(14-21(19)23(25)26)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyGLCBTRMNARUNNK-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.01
Rot. Bonds2

About 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one

2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one (PubChem CID 42598674) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one
PubChem CID42598674
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one
SMILESCn1ccc2cc(N3Cc4ccc(-c5ccccc5)cc4C3=O)ccc21
InChIInChI=1S/C23H18N2O/c1-24-12-11-18-13-20(9-10-22(18)24)25-15-19-8-7-17(14-21(19)23(25)26)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyGLCBTRMNARUNNK-UHFFFAOYSA-N
XLogP5.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one?
The IUPAC name of 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one (CID 42598674) is 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one?
The canonical SMILES for 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one is Cn1ccc2cc(N3Cc4ccc(-c5ccccc5)cc4C3=O)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one?
The InChIKey is GLCBTRMNARUNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-24-12-11-18-13-20(9-10-22(18)24)25-15-19-8-7-17(14-21(19)23(25)26)16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one?
2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one has a molecular weight of 338.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-6-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 42598674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).