N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine

C24H45N4PSi — CID 155708277

About N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine

N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine (PubChem CID 155708277) has the molecular formula C24H45N4PSi and a molecular weight of 448.71 g/mol. Its IUPAC name is N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine.

Molecular Properties

• Compound Name: N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
• PubChem CID: 155708277
• Molecular Formula: C24H45N4PSi
• Molecular Weight: 448.71 g/mol
• Exact Mass: 448.32
• IUPAC Name: N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
• SMILES: CCCCP(N=c1n(C(C)C)c2ccccc2n1C(C)C)(=N[Si](C)(C)C)C(C)(C)C
• InChI: InChI=1S/C24H45N4PSi/c1-12-13-18-29(24(6,7)8,26-30(9,10)11)25-23-27(19(2)3)21-16-14-15-17-22(21)28(23)20(4)5/h14-17,19-20H,12-13,18H2,1-11H3
• InChIKey: LDGLFXUVAPVQDZ-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 34.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.71
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?

The IUPAC name of N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine (CID 155708277) is N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine.

What is the SMILES notation for N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?

The canonical SMILES for N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine is CCCCP(N=c1n(C(C)C)c2ccccc2n1C(C)C)(=N[Si](C)(C)C)C(C)(C)C.

What is the InChIKey of N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?

The InChIKey is LDGLFXUVAPVQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N4PSi/c1-12-13-18-29(24(6,7)8,26-30(9,10)11)25-23-27(19(2)3)21-16-14-15-17-22(21)28(23)20(4)5/h14-17,19-20H,12-13,18H2,1-11H3.

What are the key properties of N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?

N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine has a molecular weight of 448.71 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(butyl-tert-butyl-trimethylsilylimino-λ5-phosphanyl)-1,3-di(propan-2-yl)benzimidazol-2-imine is sourced from PubChem (CID 155708277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).