4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide

C19H28F3N3O2Si — CID 175873640

IUPAC4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
SMILESCC(NC(=O)CCC(F)(F)F)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C19H28F3N3O2Si/c1-14(24-18(26)7-8-19(20,21)22)15-5-6-17-16(11-15)23-12-25(17)13-27-9-10-28(2,3)4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,26)
InChIKeyZSEXACWPBOPMLW-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.87
Rot. Bonds9

About 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide

4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide (PubChem CID 175873640) has the molecular formula C19H28F3N3O2Si and a molecular weight of 415.53 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
PubChem CID175873640
Molecular FormulaC19H28F3N3O2Si
Molecular Weight415.53 g/mol
Exact Mass415.19
IUPAC Name4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
SMILESCC(NC(=O)CCC(F)(F)F)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C19H28F3N3O2Si/c1-14(24-18(26)7-8-19(20,21)22)15-5-6-17-16(11-15)23-12-25(17)13-27-9-10-28(2,3)4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,26)
InChIKeyZSEXACWPBOPMLW-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide 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

methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
2-[(S)-(4,4-difluorocyclohexyl)-[5-[(1R)-1-(4,4,4-trifluorobutanoylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]benzamide
CID 172509330
(4S)-5-methoxy-2-methyl-4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]pentane-2-sulfinamide
CID 177107936
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
methyl 2-[[4-(3,3-difluoropropoxy)-2,6-difluorophenyl]-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]amino]methyl]prop-2-enoate
CID 168817646
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
tert-butyl-oxido-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methylideneamino]sulfanium
CID 175566246
4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
CID 125164865
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide (CID 175873640) is 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide is CC(NC(=O)CCC(F)(F)F)c1ccc2c(c1)ncn2COCC[Si](C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide?
The InChIKey is ZSEXACWPBOPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2Si/c1-14(24-18(26)7-8-19(20,21)22)15-5-6-17-16(11-15)23-12-25(17)13-27-9-10-28(2,3)4/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,26).
What are the key properties of 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide?
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide has a molecular weight of 415.53 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide is sourced from PubChem (CID 175873640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).