2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide

C16H20ClN3O2S — CID 8562604

IUPAC2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide
SMILESCCCCCNC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O2S/c1-2-3-6-9-18-14(21)11-23-16-19-10-15(22)20(16)13-8-5-4-7-12(13)17/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,21)
InChIKeyWXALRZFRGBKILF-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.08
Rot. Bonds7

About 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide

2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide (PubChem CID 8562604) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide
PubChem CID8562604
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide
SMILESCCCCCNC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O2S/c1-2-3-6-9-18-14(21)11-23-16-19-10-15(22)20(16)13-8-5-4-7-12(13)17/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,21)
InChIKeyWXALRZFRGBKILF-UHFFFAOYSA-N
XLogP3.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
CID 8562562
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8562642
(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8562439
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-butyl-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8911153
2-[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanyl-N-pentylacetamide
CID 5099411
2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide
CID 55400017
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide
CID 34391324
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 16538331
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide
CID 84601594

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide?
The IUPAC name of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide (CID 8562604) is 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide is CCCCCNC(=O)CSC1=NCC(=O)N1c1ccccc1Cl.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide?
The InChIKey is WXALRZFRGBKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-2-3-6-9-18-14(21)11-23-16-19-10-15(22)20(16)13-8-5-4-7-12(13)17/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,18,21).
What are the key properties of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide?
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide has a molecular weight of 353.88 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide is sourced from PubChem (CID 8562604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).