(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide

C20H35N3O3SSi — CID 177107936

IUPAC(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
SMILESCOC[C@@H](CC(C)(C)S(N)=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C20H35N3O3SSi/c1-20(2,27(21)24)12-17(13-25-3)16-7-8-19-18(11-16)22-14-23(19)15-26-9-10-28(4,5)6/h7-8,11,14,17H,9-10,12-13,15,21H2,1-6H3/t17-,27?/m1/s1
InChIKeyLFFCGEJICOBXOW-MOJDWNGGSA-N
MW425.67 g/mol
LogP3.87
Rot. Bonds11

About (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide

(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide (PubChem CID 177107936) has the molecular formula C20H35N3O3SSi and a molecular weight of 425.67 g/mol. Its IUPAC name is (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
PubChem CID177107936
Molecular FormulaC20H35N3O3SSi
Molecular Weight425.67 g/mol
Exact Mass425.22
IUPAC Name(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
SMILESCOC[C@@H](CC(C)(C)S(N)=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C20H35N3O3SSi/c1-20(2,27(21)24)12-17(13-25-3)16-7-8-19-18(11-16)22-14-23(19)15-26-9-10-28(4,5)6/h7-8,11,14,17H,9-10,12-13,15,21H2,1-6H3/t17-,27?/m1/s1
InChIKeyLFFCGEJICOBXOW-MOJDWNGGSA-N
XLogP3.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide 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

(S)-N-[cyclopropyl-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 171777693
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
3-[(1S)-2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]-2,4,6-trimethylbenzenesulfinamide
CID 172509132
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
CID 175873640
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[2-cyclopropyloxy-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175565972
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium
CID 175566246
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide?
The IUPAC name of (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide (CID 177107936) is (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide.
What is the SMILES notation for (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide?
The canonical SMILES for (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide is COC[C@@H](CC(C)(C)S(N)=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C.
What is the InChIKey of (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide?
The InChIKey is LFFCGEJICOBXOW-MOJDWNGGSA-N. The full InChI is InChI=1S/C20H35N3O3SSi/c1-20(2,27(21)24)12-17(13-25-3)16-7-8-19-18(11-16)22-14-23(19)15-26-9-10-28(4,5)6/h7-8,11,14,17H,9-10,12-13,15,21H2,1-6H3/t17-,27?/m1/s1.
What are the key properties of (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide?
(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide has a molecular weight of 425.67 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide is sourced from PubChem (CID 177107936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).