1-butyl-3-methylimidazol-3-ium;chloroplatinum

C8H15ClN2Pt+ — CID 175008486

IUPAC1-butyl-3-methylimidazol-3-ium;chloroplatinum
SMILESCCCCn1cc[n+](C)c1.Cl[Pt]
InChIInChI=1S/C8H15N2.ClH.Pt/c1-3-4-5-10-7-6-9(2)8-10;;/h6-8H,3-5H2,1-2H3;1H;/q+1;;+1/p-1
InChIKeyBVMJGCGZECWFHJ-UHFFFAOYSA-M
MW369.75 g/mol
LogP1.80
Rot. Bonds3

About 1-butyl-3-methylimidazol-3-ium;chloroplatinum

1-butyl-3-methylimidazol-3-ium;chloroplatinum (PubChem CID 175008486) has the molecular formula C8H15ClN2Pt+ and a molecular weight of 369.75 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;chloroplatinum.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;chloroplatinum
PubChem CID175008486
Molecular FormulaC8H15ClN2Pt+
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Name1-butyl-3-methylimidazol-3-ium;chloroplatinum
SMILESCCCCn1cc[n+](C)c1.Cl[Pt]
InChIInChI=1S/C8H15N2.ClH.Pt/c1-3-4-5-10-7-6-9(2)8-10;;/h6-8H,3-5H2,1-2H3;1H;/q+1;;+1/p-1
InChIKeyBVMJGCGZECWFHJ-UHFFFAOYSA-M
XLogP1.80
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-butyl-3-methylimidazolium hexachlorophosphate
CID 139239305
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-butyl-3-methylimidazol-3-ium;dihydrogen phosphite
CID 87096076
1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
CID 175105794
1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide
CID 174105718

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;chloroplatinum?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;chloroplatinum (CID 175008486) is 1-butyl-3-methylimidazol-3-ium;chloroplatinum.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;chloroplatinum?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;chloroplatinum is CCCCn1cc[n+](C)c1.Cl[Pt].
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;chloroplatinum?
The InChIKey is BVMJGCGZECWFHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.ClH.Pt/c1-3-4-5-10-7-6-9(2)8-10;;/h6-8H,3-5H2,1-2H3;1H;/q+1;;+1/p-1.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;chloroplatinum?
1-butyl-3-methylimidazol-3-ium;chloroplatinum has a molecular weight of 369.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;chloroplatinum is sourced from PubChem (CID 175008486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).