1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)

C23H22N4Pt — CID 58162154

IUPAC1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C23H22N4.Pt/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyZYFKGTCIPDGFFA-UHFFFAOYSA-N
MW549.54 g/mol
LogP4.41
Rot. Bonds4

About 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)

1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+) (PubChem CID 58162154) has the molecular formula C23H22N4Pt and a molecular weight of 549.54 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+).

Molecular Properties

Compound Name1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
PubChem CID58162154
Molecular FormulaC23H22N4Pt
Molecular Weight549.54 g/mol
Exact Mass549.15
IUPAC Name1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C23H22N4.Pt/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyZYFKGTCIPDGFFA-UHFFFAOYSA-N
XLogP4.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)?
The IUPAC name of 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+) (CID 58162154) is 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+).
What is the SMILES notation for 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)?
The canonical SMILES for 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+) is Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)?
The InChIKey is ZYFKGTCIPDGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4.Pt/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2.
What are the key properties of 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)?
1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+) has a molecular weight of 549.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+) is sourced from PubChem (CID 58162154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).