5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one

C23H17BrN2O — CID 5331125

IUPAC5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2
InChIKeyHMNQLGPAVMICRU-UHFFFAOYSA-N
MW417.31 g/mol
LogP5.69
Rot. Bonds2

About 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one

5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331125) has the molecular formula C23H17BrN2O and a molecular weight of 417.31 g/mol. Its IUPAC name is 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID5331125
Molecular FormulaC23H17BrN2O
Molecular Weight417.31 g/mol
Exact Mass416.05
IUPAC Name5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2
InChIKeyHMNQLGPAVMICRU-UHFFFAOYSA-N
XLogP5.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-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 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 5331125) is 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is HMNQLGPAVMICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O/c24-16-10-11-20-18(12-16)19-13-22(27)26(14-15-6-2-1-3-7-15)21-9-5-4-8-17(21)23(19)25-20/h1-12,25H,13-14H2.
What are the key properties of 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 417.31 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).