carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+)

C21H22N4OPt — CID 168843602

About carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+)

carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+) (PubChem CID 168843602) has the molecular formula C21H22N4OPt and a molecular weight of 541.51 g/mol. Its IUPAC name is carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+)
• PubChem CID: 168843602
• Molecular Formula: C21H22N4OPt
• Molecular Weight: 541.51 g/mol
• Exact Mass: 541.14
• IUPAC Name: carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3cccc(N4C=CN(C)[CH-]4)c3)ccc2)[CH-]1.[CH3-].[Pt+4]
• InChI: InChI=1S/C20H19N4O.CH3.Pt/c1-21-9-11-23(15-21)17-5-3-7-19(13-17)25-20-8-4-6-18(14-20)24-12-10-22(2)16-24;;/h3-13,15-16H,1-2H3;1H3;/q-3;-1;+4
• InChIKey: NDTJOQLYMJPYNR-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.51
LogP ≤ 5	4.41
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 carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+)?

The IUPAC name of carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+) (CID 168843602) is carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+).

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

The canonical SMILES for carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+) is CN1C=CN(c2[c-]c(Oc3cccc(N4C=CN(C)[CH-]4)c3)ccc2)[CH-]1.[CH3-].[Pt+4].

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

The InChIKey is NDTJOQLYMJPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N4O.CH3.Pt/c1-21-9-11-23(15-21)17-5-3-7-19(13-17)25-20-8-4-6-18(14-20)24-12-10-22(2)16-24;;/h3-13,15-16H,1-2H3;1H3;/q-3;-1;+4.

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

carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+) has a molecular weight of 541.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-methyl-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxyphenyl]-2H-imidazol-2-ide;platinum(4+) is sourced from PubChem (CID 168843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).