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

C11H14ClN3O2S — CID 75504698

IUPAC1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one
SMILESCC(NCC(=O)N1CCNC1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S/c1-7(8-2-3-9(12)18-8)14-6-10(16)15-5-4-13-11(15)17/h2-3,7,14H,4-6H2,1H3,(H,13,17)
InChIKeyYGRNQRITAPQMBO-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.60
Rot. Bonds4

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

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one (PubChem CID 75504698) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one
PubChem CID75504698
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one
SMILESCC(NCC(=O)N1CCNC1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3O2S/c1-7(8-2-3-9(12)18-8)14-6-10(16)15-5-4-13-11(15)17/h2-3,7,14H,4-6H2,1H3,(H,13,17)
InChIKeyYGRNQRITAPQMBO-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one (CID 75504698) is 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one is CC(NCC(=O)N1CCNC1=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one?
The InChIKey is YGRNQRITAPQMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-7(8-2-3-9(12)18-8)14-6-10(16)15-5-4-13-11(15)17/h2-3,7,14H,4-6H2,1H3,(H,13,17).
What are the key properties of 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one?
1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one has a molecular weight of 287.77 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 75504698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).