2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

C25H23N3O2S — CID 5200480

IUPAC2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H23N3O2S/c1-18-24(19-9-5-3-6-10-19)27-25(28(18)21-13-15-22(30-2)16-14-21)31-17-23(29)26-20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyCTFPQICEMJJKKO-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.59
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 5200480) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID5200480
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C25H23N3O2S/c1-18-24(19-9-5-3-6-10-19)27-25(28(18)21-13-15-22(30-2)16-14-21)31-17-23(29)26-20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyCTFPQICEMJJKKO-UHFFFAOYSA-N
XLogP5.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507
2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1139937
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 35209150
2-[[5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1156322
N-(4-butan-2-ylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3821542
N-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1023251
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1221537
4-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 3290223
N-(2,6-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2375054
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 3721525
2-[5-benzyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135438995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (CID 5200480) is 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is CTFPQICEMJJKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-18-24(19-9-5-3-6-10-19)27-25(28(18)21-13-15-22(30-2)16-14-21)31-17-23(29)26-20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 429.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 5200480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).