1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one

C11H14N2OS — CID 116624291

IUPAC1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
SMILESCCn1ccn(CCc2cccs2)c1=O
InChIInChI=1S/C11H14N2OS/c1-2-12-7-8-13(11(12)14)6-5-10-4-3-9-15-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyYDNLYFFPOVWRNS-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.97
Rot. Bonds4

About 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one

1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one (PubChem CID 116624291) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
PubChem CID116624291
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
SMILESCCn1ccn(CCc2cccs2)c1=O
InChIInChI=1S/C11H14N2OS/c1-2-12-7-8-13(11(12)14)6-5-10-4-3-9-15-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyYDNLYFFPOVWRNS-UHFFFAOYSA-N
XLogP1.97
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one (CID 116624291) is 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one is CCn1ccn(CCc2cccs2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one?
The InChIKey is YDNLYFFPOVWRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-12-7-8-13(11(12)14)6-5-10-4-3-9-15-10/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one?
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one is sourced from PubChem (CID 116624291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).