1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)

C14H18N2Pt — CID 59403943

IUPAC1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)
SMILESCN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Pt+2]
InChIInChI=1S/C14H18N2.Pt/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;+2
InChIKeyRUHWNMYJOFSOHG-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.12
Rot. Bonds1

About 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)

1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+) (PubChem CID 59403943) has the molecular formula C14H18N2Pt and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+).

Molecular Properties

Compound Name1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)
PubChem CID59403943
Molecular FormulaC14H18N2Pt
Molecular Weight409.39 g/mol
Exact Mass409.11
IUPAC Name1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)
SMILESCN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Pt+2]
InChIInChI=1S/C14H18N2.Pt/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;+2
InChIKeyRUHWNMYJOFSOHG-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)?
The IUPAC name of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+) (CID 59403943) is 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+).
What is the SMILES notation for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)?
The canonical SMILES for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+) is CN1C=CN(c2[c-]ccc(C(C)(C)C)c2)[CH-]1.[Pt+2].
What is the InChIKey of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)?
The InChIKey is RUHWNMYJOFSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.Pt/c1-14(2,3)12-6-5-7-13(10-12)16-9-8-15(4)11-16;/h5-6,8-11H,1-4H3;/q-2;+2.
What are the key properties of 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+)?
1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+) has a molecular weight of 409.39 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;platinum(2+) is sourced from PubChem (CID 59403943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).