2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide

C26H26ClN3O4 — CID 16971124

IUPAC2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
SMILESCCOc1ccccc1OCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C26H26ClN3O4/c1-2-32-23-9-5-6-10-24(23)33-16-15-30-22-8-4-3-7-21(22)29-25(30)17-28-26(31)18-34-20-13-11-19(27)12-14-20/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyUPFJSOHCHAIJAM-UHFFFAOYSA-N
MW479.96 g/mol
LogP4.86
Rot. Bonds11

About 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 16971124) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID16971124
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
SMILESCCOc1ccccc1OCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C26H26ClN3O4/c1-2-32-23-9-5-6-10-24(23)33-16-15-30-22-8-4-3-7-21(22)29-25(30)17-28-26(31)18-34-20-13-11-19(27)12-14-20/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyUPFJSOHCHAIJAM-UHFFFAOYSA-N
XLogP4.86
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986431
2-(4-chlorophenoxy)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993214
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978810
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978821
2-(4-chlorophenoxy)-N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971175
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970652
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
4-chloro-N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984607
2-(4-chlorophenyl)-N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide (CID 16971124) is 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide is CCOc1ccccc1OCCn1c(CNC(=O)COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is UPFJSOHCHAIJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-2-32-23-9-5-6-10-24(23)33-16-15-30-22-8-4-3-7-21(22)29-25(30)17-28-26(31)18-34-20-13-11-19(27)12-14-20/h3-14H,2,15-18H2,1H3,(H,28,31).
What are the key properties of 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 479.96 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 16971124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).