1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone

C12H14N2OS — CID 43797889

IUPAC1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCCc1ccc(C(=O)Cn2ccnc2C)s1
InChIInChI=1S/C12H14N2OS/c1-3-10-4-5-12(16-10)11(15)8-14-7-6-13-9(14)2/h4-7H,3,8H2,1-2H3
InChIKeyYZDOHYHBBLEPGI-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.70
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone

1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 43797889) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID43797889
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCCc1ccc(C(=O)Cn2ccnc2C)s1
InChIInChI=1S/C12H14N2OS/c1-3-10-4-5-12(16-10)11(15)8-14-7-6-13-9(14)2/h4-7H,3,8H2,1-2H3
InChIKeyYZDOHYHBBLEPGI-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone (CID 43797889) is 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone is CCc1ccc(C(=O)Cn2ccnc2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is YZDOHYHBBLEPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-10-4-5-12(16-10)11(15)8-14-7-6-13-9(14)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 234.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).