1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium

C22H37Cl3N3Pd- — CID 171588107

IUPAC1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
SMILESCCC(CC)(CC)N1C=CN(C(CC)(CC)CC)[CH-]1.Cl[Pd]Cl.Clc1cccnc1
InChIInChI=1S/C17H33N2.C5H4ClN.2ClH.Pd/c1-7-16(8-2,9-3)18-13-14-19(15-18)17(10-4,11-5)12-6;6-5-2-1-3-7-4-5;;;/h13-15H,7-12H2,1-6H3;1-4H;2*1H;/q-1;;;;+2/p-2
InChIKeyAUPBUNXRIBPZMJ-UHFFFAOYSA-L
MW556.34 g/mol
LogP8.24
Rot. Bonds8

About 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium

1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium (PubChem CID 171588107) has the molecular formula C22H37Cl3N3Pd- and a molecular weight of 556.34 g/mol. Its IUPAC name is 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium.

Molecular Properties

Compound Name1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
PubChem CID171588107
Molecular FormulaC22H37Cl3N3Pd-
Molecular Weight556.34 g/mol
Exact Mass554.11
IUPAC Name1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
SMILESCCC(CC)(CC)N1C=CN(C(CC)(CC)CC)[CH-]1.Cl[Pd]Cl.Clc1cccnc1
InChIInChI=1S/C17H33N2.C5H4ClN.2ClH.Pd/c1-7-16(8-2,9-3)18-13-14-19(15-18)17(10-4,11-5)12-6;6-5-2-1-3-7-4-5;;;/h13-15H,7-12H2,1-6H3;1-4H;2*1H;/q-1;;;;+2/p-2
InChIKeyAUPBUNXRIBPZMJ-UHFFFAOYSA-L
XLogP8.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.34
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The IUPAC name of 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium (CID 171588107) is 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium.
What is the SMILES notation for 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The canonical SMILES for 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium is CCC(CC)(CC)N1C=CN(C(CC)(CC)CC)[CH-]1.Cl[Pd]Cl.Clc1cccnc1.
What is the InChIKey of 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The InChIKey is AUPBUNXRIBPZMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H33N2.C5H4ClN.2ClH.Pd/c1-7-16(8-2,9-3)18-13-14-19(15-18)17(10-4,11-5)12-6;6-5-2-1-3-7-4-5;;;/h13-15H,7-12H2,1-6H3;1-4H;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium has a molecular weight of 556.34 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-ethylpentan-3-yl)-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium is sourced from PubChem (CID 171588107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).