5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione

C16H19N5O2S — CID 56789214

IUPAC5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nccn2Cc2ccccn2)C1=O
InChIInChI=1S/C16H19N5O2S/c1-16(2)13(22)21(14(23)19-16)9-10-24-15-18-7-8-20(15)11-12-5-3-4-6-17-12/h3-8H,9-11H2,1-2H3,(H,19,23)
InChIKeyFANLZLMRRVRJFN-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.75
Rot. Bonds6

About 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 56789214) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
PubChem CID56789214
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCSc2nccn2Cc2ccccn2)C1=O
InChIInChI=1S/C16H19N5O2S/c1-16(2)13(22)21(14(23)19-16)9-10-24-15-18-7-8-20(15)11-12-5-3-4-6-17-12/h3-8H,9-11H2,1-2H3,(H,19,23)
InChIKeyFANLZLMRRVRJFN-UHFFFAOYSA-N
XLogP1.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione (CID 56789214) is 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCSc2nccn2Cc2ccccn2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is FANLZLMRRVRJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-16(2)13(22)21(14(23)19-16)9-10-24-15-18-7-8-20(15)11-12-5-3-4-6-17-12/h3-8H,9-11H2,1-2H3,(H,19,23).
What are the key properties of 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 345.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56789214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).