2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide

C24H34N4O2Si — CID 140825038

IUPAC2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OCCNC(=O)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H34N4O2Si/c1-24(2,3)31(4,5)30-16-15-25-22(29)18-28-21-14-10-9-13-20(21)27-23(28)26-17-19-11-7-6-8-12-19/h6-14H,15-18H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyKGSNGZMDIPGIRW-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.79
Rot. Bonds9

About 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide

2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide (PubChem CID 140825038) has the molecular formula C24H34N4O2Si and a molecular weight of 438.65 g/mol. Its IUPAC name is 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
PubChem CID140825038
Molecular FormulaC24H34N4O2Si
Molecular Weight438.65 g/mol
Exact Mass438.25
IUPAC Name2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OCCNC(=O)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H34N4O2Si/c1-24(2,3)31(4,5)30-16-15-25-22(29)18-28-21-14-10-9-13-20(21)27-23(28)26-17-19-11-7-6-8-12-19/h6-14H,15-18H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyKGSNGZMDIPGIRW-UHFFFAOYSA-N
XLogP4.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-[(1R)-1-(1-adamantyl)ethyl]-2-[2-(benzylamino)benzimidazol-1-yl]acetamide
CID 25337790
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide (CID 140825038) is 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide.
What is the SMILES notation for 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The canonical SMILES for 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide is CC(C)(C)[Si](C)(C)OCCNC(=O)Cn1c(NCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
The InChIKey is KGSNGZMDIPGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2Si/c1-24(2,3)31(4,5)30-16-15-25-22(29)18-28-21-14-10-9-13-20(21)27-23(28)26-17-19-11-7-6-8-12-19/h6-14H,15-18H2,1-5H3,(H,25,29)(H,26,27).
What are the key properties of 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide?
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide has a molecular weight of 438.65 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide is sourced from PubChem (CID 140825038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).