1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium

C34H57Cl3N3Pd- — CID 153316500

IUPAC1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
SMILESCC1=C(C)N(C2C(C(C)C)CCCC2C(C)C)[CH-]N1C1C(C(C)C)CCCC1C(C)C.Cl[Pd]Cl.Clc1cccnc1
InChIInChI=1S/C29H53N2.C5H4ClN.2ClH.Pd/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;6-5-2-1-3-7-4-5;;;/h17-21,24-29H,11-16H2,1-10H3;1-4H;2*1H;/q-1;;;;+2/p-2
InChIKeyCRBJCINQEFCZCH-UHFFFAOYSA-L
MW720.63 g/mol
LogP11.28
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium

1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium (PubChem CID 153316500) has the molecular formula C34H57Cl3N3Pd- and a molecular weight of 720.63 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
PubChem CID153316500
Molecular FormulaC34H57Cl3N3Pd-
Molecular Weight720.63 g/mol
Exact Mass718.27
IUPAC Name1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium
SMILESCC1=C(C)N(C2C(C(C)C)CCCC2C(C)C)[CH-]N1C1C(C(C)C)CCCC1C(C)C.Cl[Pd]Cl.Clc1cccnc1
InChIInChI=1S/C29H53N2.C5H4ClN.2ClH.Pd/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;6-5-2-1-3-7-4-5;;;/h17-21,24-29H,11-16H2,1-10H3;1-4H;2*1H;/q-1;;;;+2/p-2
InChIKeyCRBJCINQEFCZCH-UHFFFAOYSA-L
XLogP11.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.63
LogP ≤ 511.28
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[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium (CID 153316500) is 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium is CC1=C(C)N(C2C(C(C)C)CCCC2C(C)C)[CH-]N1C1C(C(C)C)CCCC1C(C)C.Cl[Pd]Cl.Clc1cccnc1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
The InChIKey is CRBJCINQEFCZCH-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H53N2.C5H4ClN.2ClH.Pd/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;6-5-2-1-3-7-4-5;;;/h17-21,24-29H,11-16H2,1-10H3;1-4H;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium?
1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium has a molecular weight of 720.63 g/mol, XLogP of 11.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)cyclohexyl]-4,5-dimethyl-2H-imidazol-2-ide;3-chloropyridine;dichloropalladium is sourced from PubChem (CID 153316500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).