5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one

C20H19N3OS — CID 10405548

IUPAC5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one
SMILESO=C1CCC(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1
InChIInChI=1S/C20H19N3OS/c24-17-12-11-16(21-17)13-25-20-22-18(14-7-3-1-4-8-14)19(23-20)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,24)(H,22,23)
InChIKeyWSMIFTGUPARNSH-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.11
Rot. Bonds5

About 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one (PubChem CID 10405548) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one
PubChem CID10405548
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one
SMILESO=C1CCC(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1
InChIInChI=1S/C20H19N3OS/c24-17-12-11-16(21-17)13-25-20-22-18(14-7-3-1-4-8-14)19(23-20)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,24)(H,22,23)
InChIKeyWSMIFTGUPARNSH-UHFFFAOYSA-N
XLogP4.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-{5-[4,5-Bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 9938743
1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide
CID 24817887
N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-N'-octyl-N-phenylurea
CID 10053717
2-(2,4-Difluoro-phenyl)-N-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-N-heptyl-acetamide
CID 10099937
[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-heptyl-carbamic acid propyl ester
CID 10324429
1-(2,4-Difluoro-phenyl)-3-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
CID 10345554
N-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-N-heptyl-butyramide
CID 10346069
1-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-3-octyl-urea
CID 10371456
N-[5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]-N-heptyl-N'-methylurea
CID 10390966
2-Biphenyl-4-yl-N-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-N-heptyl-acetamide
CID 10416559

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one (CID 10405548) is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one is O=C1CCC(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1.
What is the InChIKey of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one?
The InChIKey is WSMIFTGUPARNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-17-12-11-16(21-17)13-25-20-22-18(14-7-3-1-4-8-14)19(23-20)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,24)(H,22,23).
What are the key properties of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one?
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one has a molecular weight of 349.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 10405548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).