chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine

C18H18ClN3Pt — CID 140804372

IUPACchloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine
SMILESCl[Pt+].Cn1ccnc1-c1cccc(C(C)(C)c2[c-]cccc2)n1
InChIInChI=1S/C18H18N3.ClH.Pt/c1-18(2,14-8-5-4-6-9-14)16-11-7-10-15(20-16)17-19-12-13-21(17)3;;/h4-8,10-13H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyTWDLJYBIQBZTOB-UHFFFAOYSA-M
MW506.89 g/mol
LogP4.30
Rot. Bonds3

About chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine

chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine (PubChem CID 140804372) has the molecular formula C18H18ClN3Pt and a molecular weight of 506.89 g/mol. Its IUPAC name is chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

Compound Namechloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine
PubChem CID140804372
Molecular FormulaC18H18ClN3Pt
Molecular Weight506.89 g/mol
Exact Mass506.08
IUPAC Namechloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine
SMILESCl[Pt+].Cn1ccnc1-c1cccc(C(C)(C)c2[c-]cccc2)n1
InChIInChI=1S/C18H18N3.ClH.Pt/c1-18(2,14-8-5-4-6-9-14)16-11-7-10-15(20-16)17-19-12-13-21(17)3;;/h4-8,10-13H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyTWDLJYBIQBZTOB-UHFFFAOYSA-M
XLogP4.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.89
LogP ≤ 54.30
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

2,6-bis(1-methylimidazol-2-yl)pyridine;iridium(3+);tricyanide
CID 58672264
dichloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine)
CID 23534671
2-(1-methylimidazol-2-yl)pyridine;1-methyl-2-(1-methylimidazol-2-yl)imidazole;1-methyl-2-(1-methyl-3H-pyrrol-3-id-2-yl)imidazole;osmium(1+);trichloride
CID 160998922
2-(1H-imidazol-2-yl)-6-(1-methylimidazol-2-yl)pyridine
CID 70653614
iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;6-phenylpyridine-2-carboxylic acid
CID 58898333
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
4-(1-methylimidazol-2-yl)pyrimidine
CID 157435351
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934
ethane;1-methyl-2-phenylimidazole
CID 142155183
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
CID 159092633

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine?
The IUPAC name of chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine (CID 140804372) is chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine.
What is the SMILES notation for chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine?
The canonical SMILES for chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine is Cl[Pt+].Cn1ccnc1-c1cccc(C(C)(C)c2[c-]cccc2)n1.
What is the InChIKey of chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine?
The InChIKey is TWDLJYBIQBZTOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N3.ClH.Pt/c1-18(2,14-8-5-4-6-9-14)16-11-7-10-15(20-16)17-19-12-13-21(17)3;;/h4-8,10-13H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine?
chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine has a molecular weight of 506.89 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);2-(1-methylimidazol-2-yl)-6-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 140804372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).