1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane

C31H48AuN2Si-2 — CID 138962595

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane (PubChem CID 138962595) has the molecular formula C31H48AuN2Si-2 and a molecular weight of 673.79 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane.

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
• PubChem CID: 138962595
• Molecular Formula: C31H48AuN2Si-2
• Molecular Weight: 673.79 g/mol
• Exact Mass: 673.33
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.[Au].[CH2-][Si](C)(C)C
• InChI: InChI=1S/C27H37N2.C4H11Si.Au/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;1-5(2,3)4;/h9-21H,1-8H3;1H2,2-4H3;/q2*-1
• InChIKey: IPCLXYTYZNPCBO-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.79
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane (CID 138962595) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane.

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.[Au].[CH2-][Si](C)(C)C.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane?

The InChIKey is IPCLXYTYZNPCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2.C4H11Si.Au/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;1-5(2,3)4;/h9-21H,1-8H3;1H2,2-4H3;/q2*-1;.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane?

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane has a molecular weight of 673.79 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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;gold;methanidyl(trimethyl)silane is sourced from PubChem (CID 138962595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).