[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate

C19H31FN2O5SSi — CID 153403198

IUPAC[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
SMILESCC(C)(C)Oc1cc(F)cc2c1nc(COS(C)(=O)=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C19H31FN2O5SSi/c1-19(2,3)27-16-11-14(20)10-15-18(16)21-17(12-26-28(4,23)24)22(15)13-25-8-9-29(5,6)7/h10-11H,8-9,12-13H2,1-7H3
InChIKeyQDAUDJJQAJVFCQ-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.14
Rot. Bonds9

About [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate

[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate (PubChem CID 153403198) has the molecular formula C19H31FN2O5SSi and a molecular weight of 446.62 g/mol. Its IUPAC name is [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
PubChem CID153403198
Molecular FormulaC19H31FN2O5SSi
Molecular Weight446.62 g/mol
Exact Mass446.17
IUPAC Name[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
SMILESCC(C)(C)Oc1cc(F)cc2c1nc(COS(C)(=O)=O)n2COCC[Si](C)(C)C
InChIInChI=1S/C19H31FN2O5SSi/c1-19(2,3)27-16-11-14(20)10-15-18(16)21-17(12-26-28(4,23)24)22(15)13-25-8-9-29(5,6)7/h10-11H,8-9,12-13H2,1-7H3
InChIKeyQDAUDJJQAJVFCQ-UHFFFAOYSA-N
XLogP4.14
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate 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

[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403274
3-amino-1-[[6-fluoro-4-(2,2,2-trifluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 158449354
3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
CID 157467509
2-[(4,6-difluoro-5-iodo-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71074304
2-[(6-chloro-4-ethynyl-2-methylsulfonylbenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 87362188
4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157316827
[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
CID 123264105
2-[2-(phenylmethoxycarbonylaminomethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl methanesulfonate
CID 156752270
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 170762564
2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157058148

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate?
The IUPAC name of [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate (CID 153403198) is [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate.
What is the SMILES notation for [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate?
The canonical SMILES for [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate is CC(C)(C)Oc1cc(F)cc2c1nc(COS(C)(=O)=O)n2COCC[Si](C)(C)C.
What is the InChIKey of [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate?
The InChIKey is QDAUDJJQAJVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O5SSi/c1-19(2,3)27-16-11-14(20)10-15-18(16)21-17(12-26-28(4,23)24)22(15)13-25-8-9-29(5,6)7/h10-11H,8-9,12-13H2,1-7H3.
What are the key properties of [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate?
[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate has a molecular weight of 446.62 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate is sourced from PubChem (CID 153403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).