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

C20H24FN3O3 — CID 156822937

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

(5S)-5-cyclopropyl-5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156822937) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-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: (5S)-5-cyclopropyl-5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
• PubChem CID: 156822937
• Molecular Formula: C20H24FN3O3
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.18
• IUPAC Name: (5S)-5-cyclopropyl-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)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCc2ccc(F)cc21
• InChI: InChI=1S/C20H24FN3O3/c1-12-11-24(9-7-13-2-5-15(21)10-16(12)13)17(25)6-8-20(14-3-4-14)18(26)22-19(27)23-20/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H2,22,23,26,27)/t12?,20-/m0/s1
• InChIKey: RVGJJKGKACPPHF-UDRWWJRQSA-N
• XLogP: 2.08
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	2.08
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 (5S)-5-cyclopropyl-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 (5S)-5-cyclopropyl-5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156822937) is (5S)-5-cyclopropyl-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 (5S)-5-cyclopropyl-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 (5S)-5-cyclopropyl-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)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCc2ccc(F)cc21.

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

The InChIKey is RVGJJKGKACPPHF-UDRWWJRQSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12-11-24(9-7-13-2-5-15(21)10-16(12)13)17(25)6-8-20(14-3-4-14)18(26)22-19(27)23-20/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H2,22,23,26,27)/t12?,20-/m0/s1.

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

(5S)-5-cyclopropyl-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 373.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-cyclopropyl-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 156822937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).