2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H24N4O3S — CID 17031147

IUPAC2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1cccs1
InChIInChI=1S/C20H24N4O3S/c1-27-14-20(26)21-10-4-9-18-23-16-7-2-3-8-17(16)24(18)13-19(25)22-12-15-6-5-11-28-15/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyJHCLITZVZMJLTK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.11
Rot. Bonds10

About 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17031147) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17031147
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1cccs1
InChIInChI=1S/C20H24N4O3S/c1-27-14-20(26)21-10-4-9-18-23-16-7-2-3-8-17(16)24(18)13-19(25)22-12-15-6-5-11-28-15/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,21,26)(H,22,25)
InChIKeyJHCLITZVZMJLTK-UHFFFAOYSA-N
XLogP2.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031245
3-methyl-N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031539
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030755
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17031184
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 17031147) is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COCC(=O)NCCCc1nc2ccccc2n1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JHCLITZVZMJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-27-14-20(26)21-10-4-9-18-23-16-7-2-3-8-17(16)24(18)13-19(25)22-12-15-6-5-11-28-15/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17031147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).