1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one

C11H17N3OS — CID 116978600

IUPAC1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
SMILESCNCCCN1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H17N3OS/c1-12-5-3-6-14-8-9(13-11(14)15)10-4-2-7-16-10/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,13,15)
InChIKeyQZYNMPSEGYWPOG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.42
Rot. Bonds5

About 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one

1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one (PubChem CID 116978600) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
PubChem CID116978600
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
SMILESCNCCCN1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H17N3OS/c1-12-5-3-6-14-8-9(13-11(14)15)10-4-2-7-16-10/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,13,15)
InChIKeyQZYNMPSEGYWPOG-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one (CID 116978600) is 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one is CNCCCN1CC(c2cccs2)NC1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one?
The InChIKey is QZYNMPSEGYWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-5-3-6-14-8-9(13-11(14)15)10-4-2-7-16-10/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,13,15).
What are the key properties of 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one?
1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one is sourced from PubChem (CID 116978600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).