1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium

C26H31I2N2PPd — CID 135085366

IUPAC1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium
SMILESCCCCN1C=CN(C)[CH-]1.I[Pd]I.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H15N2.2HI.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-10-7-6-9(2)8-10;;;/h1-15H;6-8H,3-5H2,1-2H3;2*1H;/q;-1;;;+2/p-1
InChIKeyOIXVRKDVBWUMDI-UHFFFAOYSA-M
MW762.75 g/mol
LogP6.57
Rot. Bonds6

About 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium

1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium (PubChem CID 135085366) has the molecular formula C26H31I2N2PPd and a molecular weight of 762.75 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium
PubChem CID135085366
Molecular FormulaC26H31I2N2PPd
Molecular Weight762.75 g/mol
Exact Mass761.93
IUPAC Name1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium
SMILESCCCCN1C=CN(C)[CH-]1.I[Pd]I.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H15N2.2HI.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-10-7-6-9(2)8-10;;;/h1-15H;6-8H,3-5H2,1-2H3;2*1H;/q;-1;;;+2/p-1
InChIKeyOIXVRKDVBWUMDI-UHFFFAOYSA-M
XLogP6.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.75
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecane;triphenylphosphanium;bromide
CID 18781891
1-butyl-3-[3-(3-butyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
CID 140798738
(2-butylphenyl)-diphenylphosphanium bromide
CID 18702722
palladium;triphenylphosphanium
CID 22229115
hexakis(triphenylphosphanium);hexabromide
CID 160734106
dioxopalladium;triphenylphosphanium
CID 174842290
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
1,3-dihexyl-2H-imidazol-2-ide;1-N,3-N-dipyridin-2-ylisoindol-2-ide-1,3-diimine;platinum(2+)
CID 153448478
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
butyl(diphenyl)phosphanium;carbanide;dichlororuthenium
CID 155931991
butan-1-one;chloroplatinum(1+);bis(triphenylphosphanium)
CID 6397135
1-butyl-2-methylpyrrole
CID 66974034

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium?
The IUPAC name of 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium (CID 135085366) is 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium is CCCCN1C=CN(C)[CH-]1.I[Pd]I.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium?
The InChIKey is OIXVRKDVBWUMDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C8H15N2.2HI.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-10-7-6-9(2)8-10;;;/h1-15H;6-8H,3-5H2,1-2H3;2*1H;/q;-1;;;+2/p-1.
What are the key properties of 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium?
1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium has a molecular weight of 762.75 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazol-2-ide;diiodopalladium;triphenylphosphanium is sourced from PubChem (CID 135085366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).