N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide

C25H33N3O2 — CID 16987900

IUPACN-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C25H33N3O2/c1-19-16-20(2)18-22(17-19)30-15-9-14-28-24-11-7-6-10-23(24)27-25(28)12-5-4-8-13-26-21(3)29/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H,26,29)
InChIKeyGEHKPZMYWYDTJN-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.97
Rot. Bonds11

About N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide

N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16987900) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
PubChem CID16987900
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCC(=O)NCCCCCc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1
InChIInChI=1S/C25H33N3O2/c1-19-16-20(2)18-22(17-19)30-15-9-14-28-24-11-7-6-10-23(24)27-25(28)12-5-4-8-13-26-21(3)29/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H,26,29)
InChIKeyGEHKPZMYWYDTJN-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989844
4-bromo-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991626
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988359
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987932
N-[5-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987931
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988521
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981697
3-chloro-N-[5-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990522

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide (CID 16987900) is N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide is CC(=O)NCCCCCc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1.
What is the InChIKey of N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is GEHKPZMYWYDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-16-20(2)18-22(17-19)30-15-9-14-28-24-11-7-6-10-23(24)27-25(28)12-5-4-8-13-26-21(3)29/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H,26,29).
What are the key properties of N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide?
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).