1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

C11H16N4O2S — CID 47137409

IUPAC1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCCn1ccnc1SC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C11H16N4O2S/c1-3-14-6-4-13-11(14)18-8(2)9(16)15-7-5-12-10(15)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,17)
InChIKeyLYFWPAICODOTKZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.94
Rot. Bonds4

About 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 47137409) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID47137409
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCCn1ccnc1SC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C11H16N4O2S/c1-3-14-6-4-13-11(14)18-8(2)9(16)15-7-5-12-10(15)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,17)
InChIKeyLYFWPAICODOTKZ-UHFFFAOYSA-N
XLogP0.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 47137409) is 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is CCn1ccnc1SC(C)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is LYFWPAICODOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-14-6-4-13-11(14)18-8(2)9(16)15-7-5-12-10(15)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,17).
What are the key properties of 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 47137409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).