2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C20H21N3O — CID 46771389

IUPAC2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C20H21N3O/c1-15-7-8-16(2)18(11-15)12-20(24)22-13-17-5-3-4-6-19(17)23-10-9-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyGWYKLSUQAYXVHR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 46771389) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID46771389
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C20H21N3O/c1-15-7-8-16(2)18(11-15)12-20(24)22-13-17-5-3-4-6-19(17)23-10-9-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyGWYKLSUQAYXVHR-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 46771389) is 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is Cc1ccc(C)c(CC(=O)NCc2ccccc2-n2ccnc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is GWYKLSUQAYXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-7-8-16(2)18(11-15)12-20(24)22-13-17-5-3-4-6-19(17)23-10-9-21-14-23/h3-11,14H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 46771389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).