6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)

C18H15Cl2N3O2W — CID 59917089

About 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)

6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+) (PubChem CID 59917089) has the molecular formula C18H15Cl2N3O2W and a molecular weight of 560.08 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+).

Molecular Properties

• Compound Name: 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)
• PubChem CID: 59917089
• Molecular Formula: C18H15Cl2N3O2W
• Molecular Weight: 560.08 g/mol
• Exact Mass: 559.01
• IUPAC Name: 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)
• SMILES: O=C1C2C[N-]CN2C(=O)N1c1cc(Cl)cc(Cl)c1.[CH2-]c1ccccc1.[W+2]
• InChI: InChI=1S/C11H8Cl2N3O2.C7H7.W/c12-6-1-7(13)3-8(2-6)16-10(17)9-4-14-5-15(9)11(16)18;1-7-5-3-2-4-6-7;/h1-3,9H,4-5H2;2-6H,1H2;/q2*-1;+2
• InChIKey: JXWMQNRFGFXUNO-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 54.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.08
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)?

The IUPAC name of 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+) (CID 59917089) is 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+).

What is the SMILES notation for 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)?

The canonical SMILES for 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+) is O=C1C2C[N-]CN2C(=O)N1c1cc(Cl)cc(Cl)c1.[CH2-]c1ccccc1.[W+2].

What is the InChIKey of 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)?

The InChIKey is JXWMQNRFGFXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N3O2.C7H7.W/c12-6-1-7(13)3-8(2-6)16-10(17)9-4-14-5-15(9)11(16)18;1-7-5-3-2-4-6-7;/h1-3,9H,4-5H2;2-6H,1H2;/q2*-1;+2.

What are the key properties of 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+)?

6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+) has a molecular weight of 560.08 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c]imidazol-2-ide-5,7-dione;methanidylbenzene;tungsten(2+) is sourced from PubChem (CID 59917089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).