2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C26H34N4O3 — CID 16988433

IUPAC2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H34N4O3/c1-20(2)30(21-12-6-4-7-13-21)26(32)18-29-23-15-10-9-14-22(23)28-24(29)16-8-5-11-17-27-25(31)19-33-3/h4,6-7,9-10,12-15,20H,5,8,11,16-19H2,1-3H3,(H,27,31)
InChIKeyHUXWXMZYZHTBAG-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.95
Rot. Bonds12

About 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 16988433) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID16988433
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H34N4O3/c1-20(2)30(21-12-6-4-7-13-21)26(32)18-29-23-15-10-9-14-22(23)28-24(29)16-8-5-11-17-27-25(31)19-33-3/h4,6-7,9-10,12-15,20H,5,8,11,16-19H2,1-3H3,(H,27,31)
InChIKeyHUXWXMZYZHTBAG-UHFFFAOYSA-N
XLogP3.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
2-[2-[5-[[2-(2,5-dimethylphenoxy)acetyl]amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16993131
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-benzyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17006654
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 16988433) is 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is COCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is HUXWXMZYZHTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-20(2)30(21-12-6-4-7-13-21)26(32)18-29-23-15-10-9-14-22(23)28-24(29)16-8-5-11-17-27-25(31)19-33-3/h4,6-7,9-10,12-15,20H,5,8,11,16-19H2,1-3H3,(H,27,31).
What are the key properties of 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 450.58 g/mol, XLogP of 3.95, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 16988433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).