9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one

C23H26F2N2OSi — CID 156788928

IUPAC9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC[Si](CC)(CC)CC1(C)C(=O)n2c(nc3cc(F)c(F)cc32)-c2ccccc21
InChIInChI=1S/C23H26F2N2OSi/c1-5-29(6-2,7-3)14-23(4)16-11-9-8-10-15(16)21-26-19-12-17(24)18(25)13-20(19)27(21)22(23)28/h8-13H,5-7,14H2,1-4H3
InChIKeyYBASMMULVJRAIM-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.40
Rot. Bonds5

About 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one

9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one (PubChem CID 156788928) has the molecular formula C23H26F2N2OSi and a molecular weight of 412.56 g/mol. Its IUPAC name is 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one.

Molecular Properties

Compound Name9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
PubChem CID156788928
Molecular FormulaC23H26F2N2OSi
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC[Si](CC)(CC)CC1(C)C(=O)n2c(nc3cc(F)c(F)cc32)-c2ccccc21
InChIInChI=1S/C23H26F2N2OSi/c1-5-29(6-2,7-3)14-23(4)16-11-9-8-10-15(16)21-26-19-12-17(24)18(25)13-20(19)27(21)22(23)28/h8-13H,5-7,14H2,1-4H3
InChIKeyYBASMMULVJRAIM-UHFFFAOYSA-N
XLogP6.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one 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 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The IUPAC name of 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one (CID 156788928) is 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one.
What is the SMILES notation for 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The canonical SMILES for 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one is CC[Si](CC)(CC)CC1(C)C(=O)n2c(nc3cc(F)c(F)cc32)-c2ccccc21.
What is the InChIKey of 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The InChIKey is YBASMMULVJRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2OSi/c1-5-29(6-2,7-3)14-23(4)16-11-9-8-10-15(16)21-26-19-12-17(24)18(25)13-20(19)27(21)22(23)28/h8-13H,5-7,14H2,1-4H3.
What are the key properties of 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one?
9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one has a molecular weight of 412.56 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one is sourced from PubChem (CID 156788928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).