N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

C23H24FN3O2S — CID 15945477

IUPACN-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-29-19-12-8-15(9-13-19)21-23(30-14-20(28)25-18-4-2-3-5-18)27-22(26-21)16-6-10-17(24)11-7-16/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyJJEPJRWABJVGHL-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.04
Rot. Bonds7

About N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15945477) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15945477
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-29-19-12-8-15(9-13-19)21-23(30-14-20(28)25-18-4-2-3-5-18)27-22(26-21)16-6-10-17(24)11-7-16/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyJJEPJRWABJVGHL-UHFFFAOYSA-N
XLogP5.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 24825377
N-Cyclopentyl-2-{[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15990540
1-(2-{2-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-ethoxy}-ethyl)-1-heptyl-3-isopropyl-urea
CID 9985707
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-3-isopropyl-1-[2-(2-methoxy-ethoxy)-ethyl]-urea
CID 9985745
N-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-2-cyclohexyl-N-heptyl-acetamide
CID 10077605
N-[5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-ylthio]pentyl]-N'-(2,4-difluorophenyl)-N-heptylurea
CID 10326923
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 10415847
1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-(5-hydroxypentyl)-3-propan-2-ylurea
CID 9985443
1-(2-{3-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-propoxy}-ethyl)-1-[2-(2-hydroxy-ethoxy)-ethyl]-3-isopropyl-urea
CID 10054077
{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-heptyl-carbamic acid phenyl ester
CID 10371625
N-Cyclopentyl-2-{[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15945448

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15945477) is N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is JJEPJRWABJVGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-29-19-12-8-15(9-13-19)21-23(30-14-20(28)25-18-4-2-3-5-18)27-22(26-21)16-6-10-17(24)11-7-16/h6-13,18H,2-5,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15945477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).