2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide

C20H21N3OS — CID 40574695

IUPAC2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1C
InChIInChI=1S/C20H21N3OS/c1-14-9-10-17(15(2)11-14)23-18(16-7-5-4-6-8-16)12-22-20(23)25-13-19(24)21-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyQXOUYPPWUQDHOP-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.99
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide

2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 40574695) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID40574695
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1C
InChIInChI=1S/C20H21N3OS/c1-14-9-10-17(15(2)11-14)23-18(16-7-5-4-6-8-16)12-22-20(23)25-13-19(24)21-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyQXOUYPPWUQDHOP-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 1075067
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1206490
N-cyclopentyl-2-[[4-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35138305
4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 46806484
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide
CID 9465156
2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide
CID 40608187
2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 46806459
2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 2549604
N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4967818
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
N-cyclopropyl-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1455951
2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29383691

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide (CID 40574695) is 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1C.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is QXOUYPPWUQDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-9-10-17(15(2)11-14)23-18(16-7-5-4-6-8-16)12-22-20(23)25-13-19(24)21-3/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide?
2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 351.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 40574695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).