1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)

C22H22N4Pt — CID 58401417

IUPAC1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)
SMILESCc1c(-c2[c-]cccc2)ncn1C.Cc1cc(C)n(-c2[c-]cccc2)n1.[Pt+2]
InChIInChI=1S/2C11H11N2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;/h2*3-6,8H,1-2H3;/q2*-1;+2
InChIKeyVCRIDYRLGFZARL-UHFFFAOYSA-N
MW537.52 g/mol
LogP4.48
Rot. Bonds2

About 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)

1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+) (PubChem CID 58401417) has the molecular formula C22H22N4Pt and a molecular weight of 537.52 g/mol. Its IUPAC name is 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+).

Molecular Properties

Compound Name1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)
PubChem CID58401417
Molecular FormulaC22H22N4Pt
Molecular Weight537.52 g/mol
Exact Mass537.15
IUPAC Name1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)
SMILESCc1c(-c2[c-]cccc2)ncn1C.Cc1cc(C)n(-c2[c-]cccc2)n1.[Pt+2]
InChIInChI=1S/2C11H11N2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;/h2*3-6,8H,1-2H3;/q2*-1;+2
InChIKeyVCRIDYRLGFZARL-UHFFFAOYSA-N
XLogP4.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 54.48
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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Related Compounds

4-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-2-(5-methylpyrazol-2-id-3-yl)imidazole;iridium;1-propan-2-yl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 162287830
5-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-4-methyl-3-(trifluoromethyl)pyrazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413491
CID 167413498
CID 167413498
4-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-2-(5-methylpyrazol-2-id-3-yl)imidazole;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413521
5-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-4-methyl-3-(trifluoromethyl)pyrazol-1-ide;iridium;1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413538
CID 167413540
CID 167413540
5-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-4-methyl-3-(trifluoromethyl)pyrazol-1-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413541
1-Methyl-4-phenylimidazole;1-phenylpyrazole;platinum(2+)
CID 57729473
Iridium;1-methyl-4-phenylimidazole;1-phenylpyrazole
CID 57729500
Chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole
CID 58130228
chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide
CID 58130233
Chloroplatinum(1+);1-[2,4-difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-3,5-dimethylpyrazole
CID 58130276

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)?
The IUPAC name of 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+) (CID 58401417) is 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+).
What is the SMILES notation for 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)?
The canonical SMILES for 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+) is Cc1c(-c2[c-]cccc2)ncn1C.Cc1cc(C)n(-c2[c-]cccc2)n1.[Pt+2].
What is the InChIKey of 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)?
The InChIKey is VCRIDYRLGFZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2.Pt/c1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;/h2*3-6,8H,1-2H3;/q2*-1;+2.
What are the key properties of 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+)?
1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+) has a molecular weight of 537.52 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenylpyrazole;platinum(2+) is sourced from PubChem (CID 58401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).