(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione

C24H32N4O3+2 — CID 9171083

About (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 9171083) has the molecular formula C24H32N4O3+2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 9171083
• Molecular Formula: C24H32N4O3+2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione
• SMILES: COc1cccc([C@@]2(C)NC(=O)N(C[NH+]3CC[NH+](Cc4ccccc4C)CC3)C2=O)c1
• InChI: InChI=1S/C24H30N4O3/c1-18-7-4-5-8-19(18)16-26-11-13-27(14-12-26)17-28-22(29)24(2,25-23(28)30)20-9-6-10-21(15-20)31-3/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,30)/p+2/t24-/m1/s1
• InChIKey: VIYYLUMMZXJAKD-XMMPIXPASA-P
• XLogP: -0.29
• TPSA: 67.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	-0.29
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 (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione (CID 9171083) is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(C[NH+]3CC[NH+](Cc4ccccc4C)CC3)C2=O)c1.

What is the InChIKey of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is VIYYLUMMZXJAKD-XMMPIXPASA-P. The full InChI is InChI=1S/C24H30N4O3/c1-18-7-4-5-8-19(18)16-26-11-13-27(14-12-26)17-28-22(29)24(2,25-23(28)30)20-9-6-10-21(15-20)31-3/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,30)/p+2/t24-/m1/s1.

What are the key properties of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione?

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9171083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).