N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide

C21H25N3O3 — CID 17006551

IUPACN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-8-9-19(16(2)12-15)27-11-10-24-18-7-5-4-6-17(18)23-20(24)13-22-21(25)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyGGRCETRFIQDEHD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.99
Rot. Bonds8

About N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide

N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide (PubChem CID 17006551) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
PubChem CID17006551
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C21H25N3O3/c1-15-8-9-19(16(2)12-15)27-11-10-24-18-7-5-4-6-17(18)23-20(24)13-22-21(25)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyGGRCETRFIQDEHD-UHFFFAOYSA-N
XLogP2.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972405
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006396
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988186
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17006993
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987862
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978543
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
CID 16999468
2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974640
2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981329

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide (CID 17006551) is N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1C.
What is the InChIKey of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is GGRCETRFIQDEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-8-9-19(16(2)12-15)27-11-10-24-18-7-5-4-6-17(18)23-20(24)13-22-21(25)14-26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide?
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 17006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).