2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum

C24H26N4Pt-2 — CID 58401313

IUPAC2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
SMILESCc1c[c-]c(-c2[n-]cc[n+]2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.[Pt]
InChIInChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h2*4,6-8H,1-3H3;/q2*-1;
InChIKeyCQRFIKQRSNUHAP-UHFFFAOYSA-N
MW565.58 g/mol
LogP4.05
Rot. Bonds2

About 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum

2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum (PubChem CID 58401313) has the molecular formula C24H26N4Pt-2 and a molecular weight of 565.58 g/mol. Its IUPAC name is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum.

Molecular Properties

Compound Name2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
PubChem CID58401313
Molecular FormulaC24H26N4Pt-2
Molecular Weight565.58 g/mol
Exact Mass565.18
IUPAC Name2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
SMILESCc1c[c-]c(-c2[n-]cc[n+]2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.[Pt]
InChIInChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h2*4,6-8H,1-3H3;/q2*-1;
InChIKeyCQRFIKQRSNUHAP-UHFFFAOYSA-N
XLogP4.05
TPSA35.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
Iridium;1-methyl-2-phenylimidazole
CID 57596182
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
CID 58220024
Tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide
CID 58274050
Tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401368
1-Methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
CID 58401371
iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)
CID 58401433

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum?
The IUPAC name of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum (CID 58401313) is 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum.
What is the SMILES notation for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum?
The canonical SMILES for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum is Cc1c[c-]c(-c2[n-]cc[n+]2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.[Pt].
What is the InChIKey of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum?
The InChIKey is CQRFIKQRSNUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N2.Pt/c2*1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;/h2*4,6-8H,1-3H3;/q2*-1;.
What are the key properties of 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum?
2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum has a molecular weight of 565.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum is sourced from PubChem (CID 58401313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).