N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

C17H16N4OS — CID 131924662

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H16N4OS/c22-17(12-23-15-5-7-18-8-6-15)20-11-14-3-1-2-4-16(14)21-10-9-19-13-21/h1-10,13H,11-12H2,(H,20,22)
InChIKeyAMZLNTPGWDMHJP-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.68
Rot. Bonds6

About N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 131924662) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID131924662
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H16N4OS/c22-17(12-23-15-5-7-18-8-6-15)20-11-14-3-1-2-4-16(14)21-10-9-19-13-21/h1-10,13H,11-12H2,(H,20,22)
InChIKeyAMZLNTPGWDMHJP-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 110908962
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
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92686269
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72922564

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 131924662) is N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is AMZLNTPGWDMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(12-23-15-5-7-18-8-6-15)20-11-14-3-1-2-4-16(14)21-10-9-19-13-21/h1-10,13H,11-12H2,(H,20,22).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 324.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 131924662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).