1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one

C14H16N2O2S — CID 8834423

IUPAC1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCNC1=O
InChIInChI=1S/C14H16N2O2S/c17-13(16-7-6-15-14(16)18)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChIKeyIINWZTCESKVSHQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 8834423) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID8834423
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCNC1=O
InChIInChI=1S/C14H16N2O2S/c17-13(16-7-6-15-14(16)18)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChIKeyIINWZTCESKVSHQ-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one (CID 8834423) is 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one is O=C(CSc1ccc2c(c1)CCC2)N1CCNC1=O.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is IINWZTCESKVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13(16-7-6-15-14(16)18)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-5,8H,1-3,6-7,9H2,(H,15,18).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 8834423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).