N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C21H23N3OS — CID 4105292

IUPACN-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1
InChIInChI=1S/C21H23N3OS/c1-14-8-9-16(3)18(12-14)23-20(25)13-26-21-22-10-11-24(21)19-7-5-6-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyCVOJLHFIUGTXBK-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.84
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4105292) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4105292
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1
InChIInChI=1S/C21H23N3OS/c1-14-8-9-16(3)18(12-14)23-20(25)13-26-21-22-10-11-24(21)19-7-5-6-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyCVOJLHFIUGTXBK-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4132227
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16293039
N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)thio]acetamide
CID 749672
2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-N-phenyl-acetamide
CID 3142098
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-ethanone
CID 1169875
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 4105292) is N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is CVOJLHFIUGTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-8-9-16(3)18(12-14)23-20(25)13-26-21-22-10-11-24(21)19-7-5-6-15(2)17(19)4/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4105292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).