3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one

C11H14N2OS — CID 103125362

IUPAC3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one
SMILESCc1cc(C(C)n2cc[nH]c2=O)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-7-6-10(9(3)15-7)8(2)13-5-4-12-11(13)14/h4-6,8H,1-3H3,(H,12,14)
InChIKeyANRYZJRECYSGBE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.46
Rot. Bonds2

About 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one

3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one (PubChem CID 103125362) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one
PubChem CID103125362
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one
SMILESCc1cc(C(C)n2cc[nH]c2=O)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-7-6-10(9(3)15-7)8(2)13-5-4-12-11(13)14/h4-6,8H,1-3H3,(H,12,14)
InChIKeyANRYZJRECYSGBE-UHFFFAOYSA-N
XLogP2.46
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one (CID 103125362) is 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one is Cc1cc(C(C)n2cc[nH]c2=O)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one?
The InChIKey is ANRYZJRECYSGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-6-10(9(3)15-7)8(2)13-5-4-12-11(13)14/h4-6,8H,1-3H3,(H,12,14).
What are the key properties of 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one?
3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one has a molecular weight of 222.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).