1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one

C11H17N3O2S — CID 106435320

IUPAC1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC(O)c1ccsc1
InChIInChI=1S/C11H17N3O2S/c15-10(9-1-6-17-8-9)7-12-2-4-14-5-3-13-11(14)16/h1,6,8,10,12,15H,2-5,7H2,(H,13,16)
InChIKeyGRIUKOQPHABTLT-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.40
Rot. Bonds6

About 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one

1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one (PubChem CID 106435320) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one
PubChem CID106435320
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC(O)c1ccsc1
InChIInChI=1S/C11H17N3O2S/c15-10(9-1-6-17-8-9)7-12-2-4-14-5-3-13-11(14)16/h1,6,8,10,12,15H,2-5,7H2,(H,13,16)
InChIKeyGRIUKOQPHABTLT-UHFFFAOYSA-N
XLogP0.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one (CID 106435320) is 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC(O)c1ccsc1.
What is the InChIKey of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one?
The InChIKey is GRIUKOQPHABTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c15-10(9-1-6-17-8-9)7-12-2-4-14-5-3-13-11(14)16/h1,6,8,10,12,15H,2-5,7H2,(H,13,16).
What are the key properties of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one?
1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one has a molecular weight of 255.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106435320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).