1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one

C12H19N3OS — CID 63291811

IUPAC1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
SMILESCC(Cc1cccs1)NCCN1CCNC1=O
InChIInChI=1S/C12H19N3OS/c1-10(9-11-3-2-8-17-11)13-4-6-15-7-5-14-12(15)16/h2-3,8,10,13H,4-7,9H2,1H3,(H,14,16)
InChIKeyVEEHUYWHZISRSA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.29
Rot. Bonds6

About 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one

1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one (PubChem CID 63291811) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
PubChem CID63291811
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
SMILESCC(Cc1cccs1)NCCN1CCNC1=O
InChIInChI=1S/C12H19N3OS/c1-10(9-11-3-2-8-17-11)13-4-6-15-7-5-14-12(15)16/h2-3,8,10,13H,4-7,9H2,1H3,(H,14,16)
InChIKeyVEEHUYWHZISRSA-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one (CID 63291811) is 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one is CC(Cc1cccs1)NCCN1CCNC1=O.
What is the InChIKey of 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one?
The InChIKey is VEEHUYWHZISRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(9-11-3-2-8-17-11)13-4-6-15-7-5-14-12(15)16/h2-3,8,10,13H,4-7,9H2,1H3,(H,14,16).
What are the key properties of 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one?
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 63291811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).