2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

C24H19ClFN3O2S — CID 4618494

IUPAC2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccccc2F)cc1
InChIInChI=1S/C24H19ClFN3O2S/c1-31-19-12-10-18(11-13-19)27-23(30)15-32-24-28-21(16-6-8-17(25)9-7-16)14-29(24)22-5-3-2-4-20(22)26/h2-14H,15H2,1H3,(H,27,30)
InChIKeyJVFTUGABGFJHNM-UHFFFAOYSA-N
MW467.95 g/mol
LogP6.07
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 4618494) has the molecular formula C24H19ClFN3O2S and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID4618494
Molecular FormulaC24H19ClFN3O2S
Molecular Weight467.95 g/mol
Exact Mass467.09
IUPAC Name2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccccc2F)cc1
InChIInChI=1S/C24H19ClFN3O2S/c1-31-19-12-10-18(11-13-19)27-23(30)15-32-24-28-21(16-6-8-17(25)9-7-16)14-29(24)22-5-3-2-4-20(22)26/h2-14H,15H2,1H3,(H,27,30)
InChIKeyJVFTUGABGFJHNM-UHFFFAOYSA-N
XLogP6.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 155805828
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 986886
2-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 4673840
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
N-(4-chlorophenyl)-2-[[5-(4-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223840
2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2193534
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 1298709

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 4618494) is 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccccc2F)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is JVFTUGABGFJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2S/c1-31-19-12-10-18(11-13-19)27-23(30)15-32-24-28-21(16-6-8-17(25)9-7-16)14-29(24)22-5-3-2-4-20(22)26/h2-14H,15H2,1H3,(H,27,30).
What are the key properties of 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 467.95 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4618494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).