3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C18H23N5O2S — CID 35357214

IUPAC3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1c(Cc2ccccc2)nnc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H23N5O2S/c1-4-22-14(12-13-8-6-5-7-9-13)20-21-17(22)26-11-10-23-15(24)18(2,3)19-16(23)25/h5-9H,4,10-12H2,1-3H3,(H,19,25)
InChIKeyOSJCUBVLTWFMFW-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.31
Rot. Bonds7

About 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 35357214) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID35357214
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCn1c(Cc2ccccc2)nnc1SCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C18H23N5O2S/c1-4-22-14(12-13-8-6-5-7-9-13)20-21-17(22)26-11-10-23-15(24)18(2,3)19-16(23)25/h5-9H,4,10-12H2,1-3H3,(H,19,25)
InChIKeyOSJCUBVLTWFMFW-UHFFFAOYSA-N
XLogP2.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane
CID 56570814
3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
CID 126108779
3-[3-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 78883274
3-benzyl-4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 84603303
3-[2-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 78851487
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylacetamide
CID 84603316
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38662711
3-benzyl-4-ethyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 112776985
3-benzyl-4-ethyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 126115239
3-benzyl-4-ethyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole
CID 87009317
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202
3-[2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35358743

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 35357214) is 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCn1c(Cc2ccccc2)nnc1SCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OSJCUBVLTWFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-4-22-14(12-13-8-6-5-7-9-13)20-21-17(22)26-11-10-23-15(24)18(2,3)19-16(23)25/h5-9H,4,10-12H2,1-3H3,(H,19,25).
What are the key properties of 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 373.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 35357214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).