azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine

C32H56N8Si2 — CID 164987063

About azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine

azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine (PubChem CID 164987063) has the molecular formula C32H56N8Si2 and a molecular weight of 609.03 g/mol. Its IUPAC name is azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine.

Molecular Properties

• Compound Name: azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine
• PubChem CID: 164987063
• Molecular Formula: C32H56N8Si2
• Molecular Weight: 609.03 g/mol
• Exact Mass: 608.42
• IUPAC Name: azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine
• SMILES: CC(C)N1CN(C(C)C)c2ccccc21.CC(C)n1c(=N[Si](C)(C)C)n(C(C)C)c2ccccc21.C[Si](C)(C)N=[N+]=[N-]
• InChI: InChI=1S/C16H27N3Si.C13H20N2.C3H9N3Si/c1-12(2)18-14-10-8-9-11-15(14)19(13(3)4)16(18)17-20(5,6)7;1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14;1-7(2,3)6-5-4/h8-13H,1-7H3;5-8,10-11H,9H2,1-4H3;1-3H3
• InChIKey: UYACWWDKXDPWQT-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 77.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.03
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine?

The IUPAC name of azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine (CID 164987063) is azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine.

What is the SMILES notation for azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine?

The canonical SMILES for azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine is CC(C)N1CN(C(C)C)c2ccccc21.CC(C)n1c(=N[Si](C)(C)C)n(C(C)C)c2ccccc21.C[Si](C)(C)N=[N+]=[N-].

What is the InChIKey of azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine?

The InChIKey is UYACWWDKXDPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3Si.C13H20N2.C3H9N3Si/c1-12(2)18-14-10-8-9-11-15(14)19(13(3)4)16(18)17-20(5,6)7;1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14;1-7(2,3)6-5-4/h8-13H,1-7H3;5-8,10-11H,9H2,1-4H3;1-3H3.

What are the key properties of azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine?

azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine has a molecular weight of 609.03 g/mol, XLogP of 9.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azido(trimethyl)silane;1,3-di(propan-2-yl)-2H-benzimidazole;1,3-di(propan-2-yl)-N-trimethylsilylbenzimidazol-2-imine is sourced from PubChem (CID 164987063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).