N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C21H25N3O2S — CID 134015449

IUPACN-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1c(CSC)nc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-26-13-12-23(14-17-8-4-3-5-9-17)21(25)15-24-19-11-7-6-10-18(19)22-20(24)16-27-2/h3-11H,12-16H2,1-2H3
InChIKeyBXIJQXYRTZBPJM-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.57
Rot. Bonds9

About N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 134015449) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID134015449
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOCCN(Cc1ccccc1)C(=O)Cn1c(CSC)nc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-26-13-12-23(14-17-8-4-3-5-9-17)21(25)15-24-19-11-7-6-10-18(19)22-20(24)16-27-2/h3-11H,12-16H2,1-2H3
InChIKeyBXIJQXYRTZBPJM-UHFFFAOYSA-N
XLogP3.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506
methyl 3-[benzyl-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]propanoate
CID 55608393
N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55439304
N-[(2-chlorophenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015453
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 112800383
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015482
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119653244
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51254864
N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 34179937

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 134015449) is N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is COCCN(Cc1ccccc1)C(=O)Cn1c(CSC)nc2ccccc21.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is BXIJQXYRTZBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-26-13-12-23(14-17-8-4-3-5-9-17)21(25)15-24-19-11-7-6-10-18(19)22-20(24)16-27-2/h3-11H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 383.52 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 134015449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).