2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C25H18N4Pt — CID 58517648

About 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 58517648) has the molecular formula C25H18N4Pt and a molecular weight of 569.53 g/mol. Its IUPAC name is 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
• PubChem CID: 58517648
• Molecular Formula: C25H18N4Pt
• Molecular Weight: 569.53 g/mol
• Exact Mass: 569.12
• IUPAC Name: 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1cccc2ccn3cc(CCCc4cn5ccc6ccc[c-]c6c5n4)nc3c12
• InChI: InChI=1S/C25H18N4.Pt/c1-3-10-22-18(6-1)12-14-28-16-20(26-24(22)28)8-5-9-21-17-29-15-13-19-7-2-4-11-23(19)25(29)27-21;/h1-4,6-7,12-17H,5,8-9H2;/q-2;+2
• InChIKey: WCUSXUSPHLAAPA-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.53
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The IUPAC name of 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 58517648) is 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

What is the SMILES notation for 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The canonical SMILES for 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is [Pt+2].[c-]1cccc2ccn3cc(CCCc4cn5ccc6ccc[c-]c6c5n4)nc3c12.

What is the InChIKey of 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

The InChIKey is WCUSXUSPHLAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4.Pt/c1-3-10-22-18(6-1)12-14-28-16-20(26-24(22)28)8-5-9-21-17-29-15-13-19-7-2-4-11-23(19)25(29)27-21;/h1-4,6-7,12-17H,5,8-9H2;/q-2;+2.

What are the key properties of 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?

2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 569.53 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)propyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 58517648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).