1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)

C20H16N4OPd — CID 162451604

IUPAC1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
SMILESCn1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3C)ccc2)ccc1.[Pd+2]
InChIInChI=1S/C20H16N4O.Pd/c1-23-11-9-21-19(23)15-5-3-7-17(13-15)25-18-8-4-6-16(14-18)20-22-10-12-24(20)2;/h3-12H,1-2H3;/q-2;+2
InChIKeyVEIKTFDAZFWGCL-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.88
Rot. Bonds4

About 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)

1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+) (PubChem CID 162451604) has the molecular formula C20H16N4OPd and a molecular weight of 434.80 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+).

Molecular Properties

Compound Name1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
PubChem CID162451604
Molecular FormulaC20H16N4OPd
Molecular Weight434.80 g/mol
Exact Mass434.04
IUPAC Name1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
SMILESCn1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3C)ccc2)ccc1.[Pd+2]
InChIInChI=1S/C20H16N4O.Pd/c1-23-11-9-21-19(23)15-5-3-7-17(13-15)25-18-8-4-6-16(14-18)20-22-10-12-24(20)2;/h3-12H,1-2H3;/q-2;+2
InChIKeyVEIKTFDAZFWGCL-UHFFFAOYSA-N
XLogP3.88
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;platinum(2+)
CID 164702677
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
N-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431963
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934
iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;6-phenylpyridine-2-carboxylic acid
CID 58898333
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451623

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)?
The IUPAC name of 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+) (CID 162451604) is 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+).
What is the SMILES notation for 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)?
The canonical SMILES for 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+) is Cn1ccnc1-c1[c-]c(Oc2[c-]c(-c3nccn3C)ccc2)ccc1.[Pd+2].
What is the InChIKey of 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)?
The InChIKey is VEIKTFDAZFWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O.Pd/c1-23-11-9-21-19(23)15-5-3-7-17(13-15)25-18-8-4-6-16(14-18)20-22-10-12-24(20)2;/h3-12H,1-2H3;/q-2;+2.
What are the key properties of 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)?
1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+) has a molecular weight of 434.80 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+) is sourced from PubChem (CID 162451604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).