1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene

C24H31ClN2Pd — CID 22836587

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene
SMILESC=CC.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Pd+]
InChIInChI=1S/C21H25N2.C3H6.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-2;;/h7-13H,1-6H3;3H,1H2,2H3;1H;/q-1;;;+2/p-1
InChIKeyFVAVKYGEMJJYEL-UHFFFAOYSA-M
MW489.40 g/mol
LogP7.33
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene (PubChem CID 22836587) has the molecular formula C24H31ClN2Pd and a molecular weight of 489.40 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene
PubChem CID22836587
Molecular FormulaC24H31ClN2Pd
Molecular Weight489.40 g/mol
Exact Mass488.12
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene
SMILESC=CC.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Pd+]
InChIInChI=1S/C21H25N2.C3H6.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-2;;/h7-13H,1-6H3;3H,1H2,2H3;1H;/q-1;;;+2/p-1
InChIKeyFVAVKYGEMJJYEL-UHFFFAOYSA-M
XLogP7.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene (CID 22836587) is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene is C=CC.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Pd+].
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene?
The InChIKey is FVAVKYGEMJJYEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25N2.C3H6.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-2;;/h7-13H,1-6H3;3H,1H2,2H3;1H;/q-1;;;+2/p-1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene?
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene has a molecular weight of 489.40 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;chloropalladium(1+);prop-1-ene is sourced from PubChem (CID 22836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).