tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide

C48H44Br4Cl4F12N8 — CID 139202438

About tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide

tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide (PubChem CID 139202438) has the molecular formula C48H44Br4Cl4F12N8 and a molecular weight of 1422.34 g/mol. Its IUPAC name is tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide.

Molecular Properties

• Compound Name: tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide
• PubChem CID: 139202438
• Molecular Formula: C48H44Br4Cl4F12N8
• Molecular Weight: 1422.34 g/mol
• Exact Mass: 1415.90
• IUPAC Name: tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide
• SMILES: C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.[Br-].[Br-].[Br-].[Br-]
• InChI: InChI=1S/4C12H11ClF3N2.4BrH/c4*1-3-4-18-8(2)6-17-7-9(12(14,15)16)5-10(13)11(17)18;;;;/h4*3,5-7H,1,4H2,2H3;4*1H/q4*+1;;;;/p-4
• InChIKey: PKIJMZQQMJCWAI-UHFFFAOYSA-J
• XLogP: 1.59
• TPSA: 36.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1422.34
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide?

The IUPAC name of tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide (CID 139202438) is tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide.

What is the SMILES notation for tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide?

The canonical SMILES for tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide is C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.C=CCn1c(C)c[n+]2cc(C(F)(F)F)cc(Cl)c12.[Br-].[Br-].[Br-].[Br-].

What is the InChIKey of tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide?

The InChIKey is PKIJMZQQMJCWAI-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H11ClF3N2.4BrH/c4*1-3-4-18-8(2)6-17-7-9(12(14,15)16)5-10(13)11(17)18;;;;/h4*3,5-7H,1,4H2,2H3;4*1H/q4*+1;;;;/p-4.

What are the key properties of tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide?

tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide has a molecular weight of 1422.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(8-chloro-2-methyl-1-prop-2-enyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium);tetrabromide is sourced from PubChem (CID 139202438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).