N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate

C30H32Cl2N8O11Ru — CID 139140054

About N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate

N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate (PubChem CID 139140054) has the molecular formula C30H32Cl2N8O11Ru and a molecular weight of 852.61 g/mol. Its IUPAC name is N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate.

Molecular Properties

• Compound Name: N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate
• PubChem CID: 139140054
• Molecular Formula: C30H32Cl2N8O11Ru
• Molecular Weight: 852.61 g/mol
• Exact Mass: 852.06
• IUPAC Name: N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate
• SMILES: CC(=O)/N=C(\NC(C)=O)c1nc(C)c(C)[nH]1.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C10H14N4O2.2C10H8N2.2ClHO4.H2O.Ru/c1-5-6(2)12-9(11-5)10(13-7(3)15)14-8(4)16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h1-4H3,(H,11,12)(H,13,14,15,16);2*1-8H;2*(H,2,3,4,5);1H2;/q;;;;;;+2/p-2
• InChIKey: GLDSTZPJZWKLNB-UHFFFAOYSA-L
• XLogP: -5.60
• TPSA: 354.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.61
LogP ≤ 5	-5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate?

The IUPAC name of N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate (CID 139140054) is N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate.

What is the SMILES notation for N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate?

The canonical SMILES for N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate is CC(=O)/N=C(\NC(C)=O)c1nc(C)c(C)[nH]1.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate?

The InChIKey is GLDSTZPJZWKLNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14N4O2.2C10H8N2.2ClHO4.H2O.Ru/c1-5-6(2)12-9(11-5)10(13-7(3)15)14-8(4)16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h1-4H3,(H,11,12)(H,13,14,15,16);2*1-8H;2*(H,2,3,4,5);1H2;/q;;;;;;+2/p-2.

What are the key properties of N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate?

N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate has a molecular weight of 852.61 g/mol, XLogP of -5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[N-acetyl-C-(4,5-dimethyl-1H-imidazol-2-yl)carbonimidoyl]acetamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate;hydrate is sourced from PubChem (CID 139140054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).