2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide

C20H23N3O2 — CID 18116677

IUPAC2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(=O)COc2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-4-23-17-8-6-5-7-16(17)22-19(23)12-21-20(24)13-25-18-10-9-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyXRAGUHDMCLUWLA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide

2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 18116677) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
PubChem CID18116677
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(=O)COc2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-4-23-17-8-6-5-7-16(17)22-19(23)12-21-20(24)13-25-18-10-9-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyXRAGUHDMCLUWLA-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
CID 17006551
ethyl 2-[2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]benzimidazol-1-yl]acetate
CID 16971379
2-(2,5-dimethylphenoxy)-N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]acetamide
CID 16971234
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006396
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972405
2-(2,5-dimethylphenoxy)-N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971352
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978543
2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 16971317
2-[2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16971361
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988186
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide (CID 18116677) is 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide is CCn1c(CNC(=O)COc2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is XRAGUHDMCLUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-23-17-8-6-5-7-16(17)22-19(23)12-21-20(24)13-25-18-10-9-14(2)11-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 18116677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).