N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide

C25H33N3O3 — CID 16988030

IUPACN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCOc1ccccc1OCCn1c(CCCCCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C25H33N3O3/c1-3-25(29)26-17-11-5-6-16-24-27-20-12-7-8-13-21(20)28(24)18-19-31-23-15-10-9-14-22(23)30-4-2/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,26,29)
InChIKeyTYGXCYZOCYIKBB-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.75
Rot. Bonds13

About N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988030) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988030
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCOc1ccccc1OCCn1c(CCCCCNC(=O)CC)nc2ccccc21
InChIInChI=1S/C25H33N3O3/c1-3-25(29)26-17-11-5-6-16-24-27-20-12-7-8-13-21(20)28(24)18-19-31-23-15-10-9-14-22(23)30-4-2/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,26,29)
InChIKeyTYGXCYZOCYIKBB-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.75
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

N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992404
2-(4-chlorophenyl)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993862
2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993214
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989812
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986431
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[5-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988055
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988030) is N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide is CCOc1ccccc1OCCn1c(CCCCCNC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is TYGXCYZOCYIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-25(29)26-17-11-5-6-16-24-27-20-12-7-8-13-21(20)28(24)18-19-31-23-15-10-9-14-22(23)30-4-2/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,26,29).
What are the key properties of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 4.75, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).