N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide

C25H20ClN3O2S — CID 1374976

IUPACN-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1C(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-17-7-5-6-10-21(17)24(31)29-22(18-8-3-2-4-9-18)15-27-25(29)32-16-23(30)28-20-13-11-19(26)12-14-20/h2-15H,16H2,1H3,(H,28,30)
InChIKeyHJASAQMEOLDVTQ-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.93
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 1374976) has the molecular formula C25H20ClN3O2S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID1374976
Molecular FormulaC25H20ClN3O2S
Molecular Weight461.97 g/mol
Exact Mass461.10
IUPAC NameN-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1C(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-17-7-5-6-10-21(17)24(31)29-22(18-8-3-2-4-9-18)15-27-25(29)32-16-23(30)28-20-13-11-19(26)12-14-20/h2-15H,16H2,1H3,(H,28,30)
InChIKeyHJASAQMEOLDVTQ-UHFFFAOYSA-N
XLogP5.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3134290
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 3134282
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510773
N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1206490
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18569144
4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 46806484
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775889
N-[(1S)-1-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide
CID 126345147
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide (CID 1374976) is N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide is Cc1ccccc1C(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is HJASAQMEOLDVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2S/c1-17-7-5-6-10-21(17)24(31)29-22(18-8-3-2-4-9-18)15-27-25(29)32-16-23(30)28-20-13-11-19(26)12-14-20/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 461.97 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 1374976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).