4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide

C25H22N4O2S — CID 46806484

IUPAC4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C25H22N4O2S/c1-17-7-13-21(14-8-17)29-22(18-5-3-2-4-6-18)15-27-25(29)32-16-23(30)28-20-11-9-19(10-12-20)24(26)31/h2-15H,16H2,1H3,(H2,26,31)(H,28,30)
InChIKeyQMBYGFMEXTYTRY-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.68
Rot. Bonds7

About 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide

4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 46806484) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID46806484
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C25H22N4O2S/c1-17-7-13-21(14-8-17)29-22(18-5-3-2-4-6-18)15-27-25(29)32-16-23(30)28-20-11-9-19(10-12-20)24(26)31/h2-15H,16H2,1H3,(H2,26,31)(H,28,30)
InChIKeyQMBYGFMEXTYTRY-UHFFFAOYSA-N
XLogP4.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 46806459
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3134290
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1156974
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 3371121
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide
CID 9465156
4-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 3290223
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 51135523
2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 21371226
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 3297869
4-[[2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 4596866
N-(4-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179264

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide (CID 46806484) is 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide is Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is QMBYGFMEXTYTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-17-7-13-21(14-8-17)29-22(18-5-3-2-4-6-18)15-27-25(29)32-16-23(30)28-20-11-9-19(10-12-20)24(26)31/h2-15H,16H2,1H3,(H2,26,31)(H,28,30).
What are the key properties of 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide?
4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 442.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 46806484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).