2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

C19H17Cl2N3OS — CID 92686269

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H17Cl2N3OS/c20-16-6-5-14(9-17(16)21)11-26-12-19(25)23-10-15-3-1-2-4-18(15)24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25)
InChIKeyDTOCKUVFKPPFBQ-UHFFFAOYSA-N
MW406.34 g/mol
LogP4.73
Rot. Bonds7

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 92686269) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID92686269
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H17Cl2N3OS/c20-16-6-5-14(9-17(16)21)11-26-12-19(25)23-10-15-3-1-2-4-18(15)24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25)
InChIKeyDTOCKUVFKPPFBQ-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 99958957
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 3163440
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzamide
CID 30378175
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide (CID 92686269) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DTOCKUVFKPPFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c20-16-6-5-14(9-17(16)21)11-26-12-19(25)23-10-15-3-1-2-4-18(15)24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25).
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide?
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 406.34 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 92686269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).