1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride

C37H51ClN3Pd- — CID 25174620

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.C[C@@H](c1[c-]cccc1)N(C)C.[Cl-].[Pd+2]
InChIInChI=1S/C27H37N2.C10H14N.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-9(11(2)3)10-7-5-4-6-8-10;;/h9-21H,1-8H3;4-7,9H,1-3H3;1H;/q2*-1;;+2/p-1/t;9-;;/m.0../s1
InChIKeyYAXCZGLIUJKWLB-DBQHITQZSA-M
MW679.71 g/mol
LogP7.21
Rot. Bonds8

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride (PubChem CID 25174620) has the molecular formula C37H51ClN3Pd- and a molecular weight of 679.71 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride
PubChem CID25174620
Molecular FormulaC37H51ClN3Pd-
Molecular Weight679.71 g/mol
Exact Mass678.28
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.C[C@@H](c1[c-]cccc1)N(C)C.[Cl-].[Pd+2]
InChIInChI=1S/C27H37N2.C10H14N.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-9(11(2)3)10-7-5-4-6-8-10;;/h9-21H,1-8H3;4-7,9H,1-3H3;1H;/q2*-1;;+2/p-1/t;9-;;/m.0../s1
InChIKeyYAXCZGLIUJKWLB-DBQHITQZSA-M
XLogP7.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.71
LogP ≤ 57.21
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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Related Compounds

copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
CID 177476772
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
CID 138962595
propan-2-ylbenzene;yttrium
CID 58365433
2,4-ditert-butyl-6-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]phenol;iridium;2-phenylpyridine
CID 172531757
chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
CID 172516504
[(2R)-propan-2-yl]benzene;yttrium
CID 59679687
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)
CID 158157559
lithium (1R,5S)-3-methyl-7-[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
CID 10538640
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 162415207
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1-[2,6-di(propan-2-yl)phenyl]-5-phenyltetrazole;iridium
CID 155613312

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride (CID 25174620) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.C[C@@H](c1[c-]cccc1)N(C)C.[Cl-].[Pd+2].
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride?
The InChIKey is YAXCZGLIUJKWLB-DBQHITQZSA-M. The full InChI is InChI=1S/C27H37N2.C10H14N.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-9(11(2)3)10-7-5-4-6-8-10;;/h9-21H,1-8H3;4-7,9H,1-3H3;1H;/q2*-1;;+2/p-1/t;9-;;/m.0../s1.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride has a molecular weight of 679.71 g/mol, XLogP of 7.21, 8 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)phenyl]-2H-imidazol-2-ide;(1S)-N,N-dimethyl-1-phenylethanamine;palladium(2+);chloride is sourced from PubChem (CID 25174620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).