[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

C20H21F2N4O3+ — CID 8638123

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (PubChem CID 8638123) has the molecular formula C20H21F2N4O3+ and a molecular weight of 403.41 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• PubChem CID: 8638123
• Molecular Formula: C20H21F2N4O3+
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.16
• IUPAC Name: [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
• SMILES: C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C20H20F2N4O3/c1-12(13-8-9-15(21)16(22)10-13)23-11-17(27)25-26-18(28)20(2,24-19(26)29)14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3,(H,24,29)(H,25,27)/p+1/t12-,20-/m1/s1
• InChIKey: HLTZHHGRLSFAML-MPBGBICISA-O
• XLogP: 1.09
• TPSA: 95.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
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 [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium (CID 8638123) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium.

What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(F)c(F)c1.

What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

The InChIKey is HLTZHHGRLSFAML-MPBGBICISA-O. The full InChI is InChI=1S/C20H20F2N4O3/c1-12(13-8-9-15(21)16(22)10-13)23-11-17(27)25-26-18(28)20(2,24-19(26)29)14-6-4-3-5-7-14/h3-10,12,23H,11H2,1-2H3,(H,24,29)(H,25,27)/p+1/t12-,20-/m1/s1.

What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium?

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium has a molecular weight of 403.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8638123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).