bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)

C22H22N4Pt — CID 58401837

IUPACbis(1,4-dimethyl-2-phenylimidazole);platinum(2+)
SMILESCc1cn(C)c(-c2[c-]cccc2)n1.Cc1cn(C)c(-c2[c-]cccc2)n1.[Pt+2]
InChIInChI=1S/2C11H11N2.Pt/c2*1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;/h2*3-6,8H,1-2H3;/q2*-1;+2
InChIKeyHWQPBTPSDVBNBW-UHFFFAOYSA-N
MW537.52 g/mol
LogP4.39
Rot. Bonds2

About bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)

bis(1,4-dimethyl-2-phenylimidazole);platinum(2+) (PubChem CID 58401837) has the molecular formula C22H22N4Pt and a molecular weight of 537.52 g/mol. Its IUPAC name is bis(1,4-dimethyl-2-phenylimidazole);platinum(2+).

Molecular Properties

Compound Namebis(1,4-dimethyl-2-phenylimidazole);platinum(2+)
PubChem CID58401837
Molecular FormulaC22H22N4Pt
Molecular Weight537.52 g/mol
Exact Mass537.15
IUPAC Namebis(1,4-dimethyl-2-phenylimidazole);platinum(2+)
SMILESCc1cn(C)c(-c2[c-]cccc2)n1.Cc1cn(C)c(-c2[c-]cccc2)n1.[Pt+2]
InChIInChI=1S/2C11H11N2.Pt/c2*1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;/h2*3-6,8H,1-2H3;/q2*-1;+2
InChIKeyHWQPBTPSDVBNBW-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
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

2,4-bis(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;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 167413501
3-[2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-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 167413517
3-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-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 167413532
3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-2,6-difluoro-4H-pyridin-4-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 167413534
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;1-phenylpyrazole
CID 57596150
1-Methyl-2-phenylimidazole;1-phenylpyrazole;platinum(2+)
CID 57729467
Platinum(2+);4,8,13,17-tetramethyl-4,6,8,13,15,17,19,21-octaza-20,22-diazanidapentacyclo[14.2.1.12,5.17,10.111,14]docosa-1(18),2,5,7(21),9,11,14,16(19)-octaene
CID 57759692
1-Methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
CID 58162154
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)?
The IUPAC name of bis(1,4-dimethyl-2-phenylimidazole);platinum(2+) (CID 58401837) is bis(1,4-dimethyl-2-phenylimidazole);platinum(2+).
What is the SMILES notation for bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)?
The canonical SMILES for bis(1,4-dimethyl-2-phenylimidazole);platinum(2+) is Cc1cn(C)c(-c2[c-]cccc2)n1.Cc1cn(C)c(-c2[c-]cccc2)n1.[Pt+2].
What is the InChIKey of bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)?
The InChIKey is HWQPBTPSDVBNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N2.Pt/c2*1-9-8-13(2)11(12-9)10-6-4-3-5-7-10;/h2*3-6,8H,1-2H3;/q2*-1;+2.
What are the key properties of bis(1,4-dimethyl-2-phenylimidazole);platinum(2+)?
bis(1,4-dimethyl-2-phenylimidazole);platinum(2+) has a molecular weight of 537.52 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethyl-2-phenylimidazole);platinum(2+) is sourced from PubChem (CID 58401837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).