2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide

C22H26N4O4 — CID 17031168

IUPAC2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H26N4O4/c1-29-15-22(28)23-13-5-8-20-25-18-6-3-4-7-19(18)26(20)14-21(27)24-16-9-11-17(30-2)12-10-16/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyJBGHQPDVANTDEA-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.38
Rot. Bonds10

About 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 17031168) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID17031168
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H26N4O4/c1-29-15-22(28)23-13-5-8-20-25-18-6-3-4-7-19(18)26(20)14-21(27)24-16-9-11-17(30-2)12-10-16/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyJBGHQPDVANTDEA-UHFFFAOYSA-N
XLogP2.38
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.38
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-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17031162
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
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
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031147
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 17031168) is 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide is COCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JBGHQPDVANTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-15-22(28)23-13-5-8-20-25-18-6-3-4-7-19(18)26(20)14-21(27)24-16-9-11-17(30-2)12-10-16/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.38, 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17031168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).