2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C25H20ClN3O2S — CID 3134290

IUPAC2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-17-11-13-19(14-12-17)28-23(30)16-32-25-27-15-22(18-7-3-2-4-8-18)29(25)24(31)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUDVFQHJNDPMDAC-UHFFFAOYSA-N
MW461.97 g/mol
LogP5.93
Rot. Bonds6

About 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 3134290) has the molecular formula C25H20ClN3O2S and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID3134290
Molecular FormulaC25H20ClN3O2S
Molecular Weight461.97 g/mol
Exact Mass461.10
IUPAC Name2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H20ClN3O2S/c1-17-11-13-19(14-12-17)28-23(30)16-32-25-27-15-22(18-7-3-2-4-8-18)29(25)24(31)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,28,30)
InChIKeyUDVFQHJNDPMDAC-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

N-(4-chlorophenyl)-2-[1-(2-methylbenzoyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1374976
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 46806484
2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 3134282
2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CID 1343929
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1206490
N-(2,6-dichlorophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510747
N-(4-methylphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179264
2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 35209150
N-(3-chloro-4-cyanophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510800
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 46806459

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 3134290) is 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is UDVFQHJNDPMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2S/c1-17-11-13-19(14-12-17)28-23(30)16-32-25-27-15-22(18-7-3-2-4-8-18)29(25)24(31)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide 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 2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).