5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one

C25H24N2OSi — CID 156788934

IUPAC5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC1(C[Si](C)(C)c2ccccc2)C(=O)n2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C25H24N2OSi/c1-25(17-29(2,3)18-11-5-4-6-12-18)20-14-8-7-13-19(20)23-26-21-15-9-10-16-22(21)27(23)24(25)28/h4-16H,17H2,1-3H3
InChIKeyWVHHYTJNCJQTJF-UHFFFAOYSA-N
MW396.57 g/mol
LogP5.23
Rot. Bonds3

About 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one

5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one (PubChem CID 156788934) has the molecular formula C25H24N2OSi and a molecular weight of 396.57 g/mol. Its IUPAC name is 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one.

Molecular Properties

Compound Name5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
PubChem CID156788934
Molecular FormulaC25H24N2OSi
Molecular Weight396.57 g/mol
Exact Mass396.17
IUPAC Name5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
SMILESCC1(C[Si](C)(C)c2ccccc2)C(=O)n2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C25H24N2OSi/c1-25(17-29(2,3)18-11-5-4-6-12-18)20-14-8-7-13-19(20)23-26-21-15-9-10-16-22(21)27(23)24(25)28/h4-16H,17H2,1-3H3
InChIKeyWVHHYTJNCJQTJF-UHFFFAOYSA-N
XLogP5.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[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

Related Compounds

5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788914
[(5R)-5-methyl-6-oxobenzimidazolo[2,1-a]isoquinolin-5-yl]methyl thiocyanate
CID 164675633
9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
CID 156788928
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248165
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 130417555
1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole
CID 143616453

Frequently Asked Questions

What is the IUPAC name of 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The IUPAC name of 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one (CID 156788934) is 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one.
What is the SMILES notation for 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The canonical SMILES for 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one is CC1(C[Si](C)(C)c2ccccc2)C(=O)n2c(nc3ccccc32)-c2ccccc21.
What is the InChIKey of 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
The InChIKey is WVHHYTJNCJQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OSi/c1-25(17-29(2,3)18-11-5-4-6-12-18)20-14-8-7-13-19(20)23-26-21-15-9-10-16-22(21)27(23)24(25)28/h4-16H,17H2,1-3H3.
What are the key properties of 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one?
5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one has a molecular weight of 396.57 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one is sourced from PubChem (CID 156788934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).