[chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate

C26H25ClN4OSi — CID 135415191

About [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate

[chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate (PubChem CID 135415191) has the molecular formula C26H25ClN4OSi and a molecular weight of 473.05 g/mol. Its IUPAC name is [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate.

Molecular Properties

• Compound Name: [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate
• PubChem CID: 135415191
• Molecular Formula: C26H25ClN4OSi
• Molecular Weight: 473.05 g/mol
• Exact Mass: 472.15
• IUPAC Name: [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate
• SMILES: C[Si](C)(Cl)O/C(N)=N/N=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
• InChI: InChI=1S/C26H25ClN4OSi/c1-33(2,27)32-26(28)31-30-23(19-11-5-3-6-12-19)18-17-22-21-15-9-10-16-24(21)29-25(22)20-13-7-4-8-14-20/h3-18,29H,1-2H3,(H2,28,31)/b18-17+,30-23-
• InChIKey: ZTOVTGVXNNBKEZ-MCNYRKRBSA-N
• XLogP: 6.52
• TPSA: 75.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.05
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate?

The IUPAC name of [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate (CID 135415191) is [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate.

What is the SMILES notation for [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate?

The canonical SMILES for [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate is C[Si](C)(Cl)O/C(N)=N/N=C(/C=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1.

What is the InChIKey of [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate?

The InChIKey is ZTOVTGVXNNBKEZ-MCNYRKRBSA-N. The full InChI is InChI=1S/C26H25ClN4OSi/c1-33(2,27)32-26(28)31-30-23(19-11-5-3-6-12-19)18-17-22-21-15-9-10-16-24(21)29-25(22)20-13-7-4-8-14-20/h3-18,29H,1-2H3,(H2,28,31)/b18-17+,30-23-.

What are the key properties of [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate?

[chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate has a molecular weight of 473.05 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [chloro(dimethyl)silyl] N'-[(Z)-[(E)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enylidene]amino]carbamimidate is sourced from PubChem (CID 135415191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).