1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one

C12H19N3OS — CID 54964422

IUPAC1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
SMILESCCC(NCCN1CCNC1=O)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-2-10(11-4-3-9-17-11)13-5-7-15-8-6-14-12(15)16/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16)
InChIKeyWQXROUVUMHTARD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds6

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

1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one (PubChem CID 54964422) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
PubChem CID54964422
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
SMILESCCC(NCCN1CCNC1=O)c1cccs1
InChIInChI=1S/C12H19N3OS/c1-2-10(11-4-3-9-17-11)13-5-7-15-8-6-14-12(15)16/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16)
InChIKeyWQXROUVUMHTARD-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]imidazolidin-2-one
CID 63291811
1-[2-[(2-hydroxy-1-phenylethyl)amino]ethyl]imidazolidin-2-one
CID 55158270
1-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]imidazolidin-2-one
CID 81406832
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417
1-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]imidazolidin-2-one
CID 81353835
1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]imidazolidin-2-one
CID 65313305
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one (CID 54964422) is 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one is CCC(NCCN1CCNC1=O)c1cccs1.
What is the InChIKey of 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one?
The InChIKey is WQXROUVUMHTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10(11-4-3-9-17-11)13-5-7-15-8-6-14-12(15)16/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16).
What are the key properties of 1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one?
1-[2-(1-thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.81, 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-ylpropylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 54964422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).