1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide

C21H27N5Pt — CID 140798738

About 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide

1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide (PubChem CID 140798738) has the molecular formula C21H27N5Pt and a molecular weight of 544.56 g/mol. Its IUPAC name is 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

• Compound Name: 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 140798738
• Molecular Formula: C21H27N5Pt
• Molecular Weight: 544.56 g/mol
• Exact Mass: 544.19
• IUPAC Name: 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
• SMILES: CCCCN1C=CN(c2[c-]c(N3C=CN(CCCC)[CH-]3)ccc2)[CH-]1.[C-]#N.[Pt+4]
• InChI: InChI=1S/C20H27N4.CN.Pt/c1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;1-2;/h7-9,12-15,17-18H,3-6,10-11H2,1-2H3;;/q-3;-1;+4
• InChIKey: PTPYODIENACQLQ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.56
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The IUPAC name of 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide (CID 140798738) is 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide.

What is the SMILES notation for 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The canonical SMILES for 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide is CCCCN1C=CN(c2[c-]c(N3C=CN(CCCC)[CH-]3)ccc2)[CH-]1.[C-]#N.[Pt+4].

What is the InChIKey of 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The InChIKey is PTPYODIENACQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N4.CN.Pt/c1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;1-2;/h7-9,12-15,17-18H,3-6,10-11H2,1-2H3;;/q-3;-1;+4.

What are the key properties of 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide has a molecular weight of 544.56 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 140798738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).