1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one

C12H14N2O3S — CID 35041427

IUPAC1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCOc1cccc(SCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C12H14N2O3S/c1-17-9-3-2-4-10(7-9)18-8-11(15)14-6-5-13-12(14)16/h2-4,7H,5-6,8H2,1H3,(H,13,16)
InChIKeyQLKBKNCCSPRNCX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.34
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one

1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 35041427) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
PubChem CID35041427
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCOc1cccc(SCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C12H14N2O3S/c1-17-9-3-2-4-10(7-9)18-8-11(15)14-6-5-13-12(14)16/h2-4,7H,5-6,8H2,1H3,(H,13,16)
InChIKeyQLKBKNCCSPRNCX-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one (CID 35041427) is 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one is COc1cccc(SCC(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is QLKBKNCCSPRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-9-3-2-4-10(7-9)18-8-11(15)14-6-5-13-12(14)16/h2-4,7H,5-6,8H2,1H3,(H,13,16).
What are the key properties of 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 35041427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).