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

C22H22N4Pt-2 — CID 58401371

IUPAC1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
SMILESCc1ccc[c-]c1-c1[n-]cc[n+]1C.Cc1ccc[c-]c1-c1nccn1C.[Pt]
InChIInChI=1S/2C11H11N2.Pt/c2*1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;/h2*3-5,7-8H,1-2H3;/q2*-1;
InChIKeyCORGIZBOJMNMPN-UHFFFAOYSA-N
MW537.52 g/mol
LogP3.44
Rot. Bonds2

About 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

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 (PubChem CID 58401371) has the molecular formula C22H22N4Pt-2 and a molecular weight of 537.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
PubChem CID58401371
Molecular FormulaC22H22N4Pt-2
Molecular Weight537.52 g/mol
Exact Mass537.15
IUPAC Name1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
SMILESCc1ccc[c-]c1-c1[n-]cc[n+]1C.Cc1ccc[c-]c1-c1nccn1C.[Pt]
InChIInChI=1S/2C11H11N2.Pt/c2*1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;/h2*3-5,7-8H,1-2H3;/q2*-1;
InChIKeyCORGIZBOJMNMPN-UHFFFAOYSA-N
XLogP3.44
TPSA35.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 53.44
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
1-[[4-[4-(Imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole
CID 91152717
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
14,20-Diethyl-15,19-dimethyl-11,23,27,28,30-pentaza-1,8-diazoniahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(26),2,4,6,8(29),9,12,14,16,18(27),19,21,24-tridecaene
CID 20816100
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
N,N-dimethyl-4-(1-methylimidazol-2-yl)benzene-5-id-1-amine;iridium
CID 57596180
Iridium;1-methyl-2-phenylimidazole
CID 57596182
Iridium;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole
CID 57653835
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
CID 58162517
CID 58162517

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc[c-]c1-c1[n-]cc[n+]1C.Cc1ccc[c-]c1-c1nccn1C.[Pt].
What is the InChIKey of 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?
The InChIKey is CORGIZBOJMNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2.Pt/c2*1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;/h2*3-5,7-8H,1-2H3;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 537.52 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58401371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).