tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride

C24H40AuCl3N8 — CID 138401894

IUPACtetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride
SMILESCCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.[Au+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C6H10N2.Au.3ClH/c4*1-3-6-7-4-5(2)8-6;;;;/h4*4H,3H2,1-2H3,(H,7,8);;3*1H/q;;;;+3;;;/p-3
InChIKeyMDTONYIHDROTOQ-UHFFFAOYSA-K
MW743.97 g/mol
LogP-3.87
Rot. Bonds4

About tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride

tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride (PubChem CID 138401894) has the molecular formula C24H40AuCl3N8 and a molecular weight of 743.97 g/mol. Its IUPAC name is tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride.

Molecular Properties

Compound Nametetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride
PubChem CID138401894
Molecular FormulaC24H40AuCl3N8
Molecular Weight743.97 g/mol
Exact Mass742.21
IUPAC Nametetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride
SMILESCCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.[Au+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C6H10N2.Au.3ClH/c4*1-3-6-7-4-5(2)8-6;;;;/h4*4H,3H2,1-2H3,(H,7,8);;3*1H/q;;;;+3;;;/p-3
InChIKeyMDTONYIHDROTOQ-UHFFFAOYSA-K
XLogP-3.87
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.97
LogP ≤ 5-3.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride?
The IUPAC name of tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride (CID 138401894) is tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride.
What is the SMILES notation for tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride?
The canonical SMILES for tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride is CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.[Au+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride?
The InChIKey is MDTONYIHDROTOQ-UHFFFAOYSA-K. The full InChI is InChI=1S/4C6H10N2.Au.3ClH/c4*1-3-6-7-4-5(2)8-6;;;;/h4*4H,3H2,1-2H3,(H,7,8);;3*1H/q;;;;+3;;;/p-3.
What are the key properties of tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride?
tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride has a molecular weight of 743.97 g/mol, XLogP of -3.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-ethyl-5-methyl-1H-imidazole);gold(3+);trichloride is sourced from PubChem (CID 138401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).