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

C26H33N3O3 — CID 16992404

IUPACN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1OCC
InChIInChI=1S/C26H33N3O3/c1-4-31-23-14-9-10-15-24(23)32-19-18-29-22-13-8-7-12-21(22)28-25(29)16-6-5-11-17-27-26(30)20(2)3/h7-10,12-15H,2,4-6,11,16-19H2,1,3H3,(H,27,30)
InChIKeyRYBPBFKBOHMXBZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.92
Rot. Bonds13

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

N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide (PubChem CID 16992404) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
PubChem CID16992404
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1OCC
InChIInChI=1S/C26H33N3O3/c1-4-31-23-14-9-10-15-24(23)32-19-18-29-22-13-8-7-12-21(22)28-25(29)16-6-5-11-17-27-26(30)20(2)3/h7-10,12-15H,2,4-6,11,16-19H2,1,3H3,(H,27,30)
InChIKeyRYBPBFKBOHMXBZ-UHFFFAOYSA-N
XLogP4.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988030
2-methyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986915
2-chloro-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989812
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986941
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-[5-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992424
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide (CID 16992404) is N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1OCC.
What is the InChIKey of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
The InChIKey is RYBPBFKBOHMXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-31-23-14-9-10-15-24(23)32-19-18-29-22-13-8-7-12-21(22)28-25(29)16-6-5-11-17-27-26(30)20(2)3/h7-10,12-15H,2,4-6,11,16-19H2,1,3H3,(H,27,30).
What are the key properties of N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide has a molecular weight of 435.57 g/mol, XLogP of 4.92, 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]-2-methylprop-2-enamide is sourced from PubChem (CID 16992404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).