2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

C20H20ClN3OS — CID 18569168

IUPAC2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C20H20ClN3OS/c1-14-3-5-15(6-4-14)11-22-19(25)13-26-20-23-12-18(24(20)2)16-7-9-17(21)10-8-16/h3-10,12H,11,13H2,1-2H3,(H,22,25)
InChIKeyFBVIFWWEBOBXPE-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.46
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 18569168) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID18569168
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C20H20ClN3OS/c1-14-3-5-15(6-4-14)11-22-19(25)13-26-20-23-12-18(24(20)2)16-7-9-17(21)10-8-16/h3-10,12H,11,13H2,1-2H3,(H,22,25)
InChIKeyFBVIFWWEBOBXPE-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 2662806
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
N-[(2-fluorophenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40680051
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 18569144
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 2410675
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20931500
2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41459678
N-[2-(4-chlorophenyl)ethyl]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112778219
N-[(4-chlorophenyl)methyl]-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6465516
2-[5-(hydroxymethyl)-2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 41342347
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 40518719
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 50773707

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 18569168) is 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FBVIFWWEBOBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-14-3-5-15(6-4-14)11-22-19(25)13-26-20-23-12-18(24(20)2)16-7-9-17(21)10-8-16/h3-10,12H,11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 385.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 18569168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).