5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione

C17H20FN3O3 — CID 156822960

About 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione

5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156822960) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
• PubChem CID: 156822960
• Molecular Formula: C17H20FN3O3
• Molecular Weight: 333.36 g/mol
• Exact Mass: 333.15
• IUPAC Name: 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
• SMILES: CC1CN(C(=O)CCC2NC(=O)NC2=O)CCc2ccc(F)cc21
• InChI: InChI=1S/C17H20FN3O3/c1-10-9-21(7-6-11-2-3-12(18)8-13(10)11)15(22)5-4-14-16(23)20-17(24)19-14/h2-3,8,10,14H,4-7,9H2,1H3,(H2,19,20,23,24)
• InChIKey: HXMJGVHZDFRUQL-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.36
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156822960) is 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione is CC1CN(C(=O)CCC2NC(=O)NC2=O)CCc2ccc(F)cc21.

What is the InChIKey of 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione?

The InChIKey is HXMJGVHZDFRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10-9-21(7-6-11-2-3-12(18)8-13(10)11)15(22)5-4-14-16(23)20-17(24)19-14/h2-3,8,10,14H,4-7,9H2,1H3,(H2,19,20,23,24).

What are the key properties of 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione?

5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 333.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156822960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).