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

C12H19N3OS — CID 54953190

IUPAC1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
SMILESCc1ccc(C(C)NCCN2CCNC2=O)s1
InChIInChI=1S/C12H19N3OS/c1-9-3-4-11(17-9)10(2)13-5-7-15-8-6-14-12(15)16/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyOKVRUSYQWRLKIW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.73
Rot. Bonds5

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

1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one (PubChem CID 54953190) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
PubChem CID54953190
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
SMILESCc1ccc(C(C)NCCN2CCNC2=O)s1
InChIInChI=1S/C12H19N3OS/c1-9-3-4-11(17-9)10(2)13-5-7-15-8-6-14-12(15)16/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyOKVRUSYQWRLKIW-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one (CID 54953190) is 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one is Cc1ccc(C(C)NCCN2CCNC2=O)s1.
What is the InChIKey of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
The InChIKey is OKVRUSYQWRLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-3-4-11(17-9)10(2)13-5-7-15-8-6-14-12(15)16/h3-4,10,13H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one?
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 54953190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).