6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one

C19H17BrN2O — CID 59543275

IUPAC6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
SMILESCC(C)n1ccc2cc(N3Cc4ccc(Br)cc4C3=O)ccc21
InChIInChI=1S/C19H17BrN2O/c1-12(2)21-8-7-13-9-16(5-6-18(13)21)22-11-14-3-4-15(20)10-17(14)19(22)23/h3-10,12H,11H2,1-2H3
InChIKeyJEXOCZGVRJAMMR-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.15
Rot. Bonds2

About 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one

6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one (PubChem CID 59543275) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
PubChem CID59543275
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
SMILESCC(C)n1ccc2cc(N3Cc4ccc(Br)cc4C3=O)ccc21
InChIInChI=1S/C19H17BrN2O/c1-12(2)21-8-7-13-9-16(5-6-18(13)21)22-11-14-3-4-15(20)10-17(14)19(22)23/h3-10,12H,11H2,1-2H3
InChIKeyJEXOCZGVRJAMMR-UHFFFAOYSA-N
XLogP5.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one (CID 59543275) is 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one is CC(C)n1ccc2cc(N3Cc4ccc(Br)cc4C3=O)ccc21.
What is the InChIKey of 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
The InChIKey is JEXOCZGVRJAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-12(2)21-8-7-13-9-16(5-6-18(13)21)22-11-14-3-4-15(20)10-17(14)19(22)23/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one?
6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one has a molecular weight of 369.26 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).