3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide

C25H24N4O6 — CID 40943642

About 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide

3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide (PubChem CID 40943642) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
• PubChem CID: 40943642
• Molecular Formula: C25H24N4O6
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.17
• IUPAC Name: 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
• SMILES: COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1
• InChI: InChI=1S/C25H24N4O6/c1-25(18-9-8-15-6-4-5-7-16(15)10-18)23(32)29(24(33)26-25)14-21(30)27-28-22(31)17-11-19(34-2)13-20(12-17)35-3/h4-13H,14H2,1-3H3,(H,26,33)(H,27,30)(H,28,31)/t25-/m1/s1
• InChIKey: JJJWCSSCGSUSPU-RUZDIDTESA-N
• XLogP: 2.09
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide?

The IUPAC name of 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide (CID 40943642) is 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide.

What is the SMILES notation for 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide?

The canonical SMILES for 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1.

What is the InChIKey of 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide?

The InChIKey is JJJWCSSCGSUSPU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N4O6/c1-25(18-9-8-15-6-4-5-7-16(15)10-18)23(32)29(24(33)26-25)14-21(30)27-28-22(31)17-11-19(34-2)13-20(12-17)35-3/h4-13H,14H2,1-3H3,(H,26,33)(H,27,30)(H,28,31)/t25-/m1/s1.

What are the key properties of 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide?

3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide has a molecular weight of 476.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 40943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).