N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C27H28ClN3O4 — CID 16979775

IUPACN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1OC
InChIInChI=1S/C27H28ClN3O4/c1-33-24-12-11-19(17-25(24)34-2)18-27(32)29-14-13-26-30-21-8-4-5-9-22(21)31(26)15-16-35-23-10-6-3-7-20(23)28/h3-12,17H,13-16,18H2,1-2H3,(H,29,32)
InChIKeyQPPQIMFOKSGUET-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.69
Rot. Bonds11

About N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 16979775) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID16979775
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC NameN-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1OC
InChIInChI=1S/C27H28ClN3O4/c1-33-24-12-11-19(17-25(24)34-2)18-27(32)29-14-13-26-30-21-8-4-5-9-22(21)31(26)15-16-35-23-10-6-3-7-20(23)28/h3-12,17H,13-16,18H2,1-2H3,(H,29,32)
InChIKeyQPPQIMFOKSGUET-UHFFFAOYSA-N
XLogP4.69
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994215
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979798
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979744
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979785
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979792
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
2-(3,4-dimethoxyphenyl)-N-[2-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979838
2-(3,4-dimethoxyphenyl)-N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979832
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994193
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978497

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 16979775) is N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QPPQIMFOKSGUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c1-33-24-12-11-19(17-25(24)34-2)18-27(32)29-14-13-26-30-21-8-4-5-9-22(21)31(26)15-16-35-23-10-6-3-7-20(23)28/h3-12,17H,13-16,18H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 493.99 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).