1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one

C11H16ClN3OS — CID 106046612

IUPAC1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClN3OS/c12-10-2-1-9(17-10)3-4-13-5-7-15-8-6-14-11(15)16/h1-2,13H,3-8H2,(H,14,16)
InChIKeyDEKYSMCHUFMSIC-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one

1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one (PubChem CID 106046612) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
PubChem CID106046612
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClN3OS/c12-10-2-1-9(17-10)3-4-13-5-7-15-8-6-14-11(15)16/h1-2,13H,3-8H2,(H,14,16)
InChIKeyDEKYSMCHUFMSIC-UHFFFAOYSA-N
XLogP1.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.56
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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Related Compounds

1-[2-(2-pyridin-4-ylethylamino)ethyl]imidazolidin-2-one
CID 60904196
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
CID 106048154
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 106047885
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 114140354
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 4996312
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one (CID 106046612) is 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The InChIKey is DEKYSMCHUFMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c12-10-2-1-9(17-10)3-4-13-5-7-15-8-6-14-11(15)16/h1-2,13H,3-8H2,(H,14,16).
What are the key properties of 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one has a molecular weight of 273.79 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106046612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).