2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole

C17H28Cl2N2Si — CID 15193164

IUPAC2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole
SMILESCc1ccc2c(c1)N(CC(C)(C)C)[Si](Cl)(Cl)N2CC(C)(C)C
InChIInChI=1S/C17H28Cl2N2Si/c1-13-8-9-14-15(10-13)21(12-17(5,6)7)22(18,19)20(14)11-16(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyXDZOBEFGMDTLLG-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.63
Rot. Bonds2

About 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole

2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole (PubChem CID 15193164) has the molecular formula C17H28Cl2N2Si and a molecular weight of 359.42 g/mol. Its IUPAC name is 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole.

Molecular Properties

Compound Name2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole
PubChem CID15193164
Molecular FormulaC17H28Cl2N2Si
Molecular Weight359.42 g/mol
Exact Mass358.14
IUPAC Name2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole
SMILESCc1ccc2c(c1)N(CC(C)(C)C)[Si](Cl)(Cl)N2CC(C)(C)C
InChIInChI=1S/C17H28Cl2N2Si/c1-13-8-9-14-15(10-13)21(12-17(5,6)7)22(18,19)20(14)11-16(2,3)4/h8-10H,11-12H2,1-7H3
InChIKeyXDZOBEFGMDTLLG-UHFFFAOYSA-N
XLogP5.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole?
The IUPAC name of 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole (CID 15193164) is 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole.
What is the SMILES notation for 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole?
The canonical SMILES for 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole is Cc1ccc2c(c1)N(CC(C)(C)C)[Si](Cl)(Cl)N2CC(C)(C)C.
What is the InChIKey of 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole?
The InChIKey is XDZOBEFGMDTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N2Si/c1-13-8-9-14-15(10-13)21(12-17(5,6)7)22(18,19)20(14)11-16(2,3)4/h8-10H,11-12H2,1-7H3.
What are the key properties of 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole?
2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole has a molecular weight of 359.42 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,3-bis(2,2-dimethylpropyl)-5-methyl-1,3,2-benzodiazasilole is sourced from PubChem (CID 15193164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).