1H-imidazol-2-yl(thiophen-2-yl)methanone

C8H6N2OS — CID 2810569

IUPAC1H-imidazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cccs1
InChIInChI=1S/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChIKeyGKSXJMYKQBIOCE-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.70
Rot. Bonds2

About 1H-imidazol-2-yl(thiophen-2-yl)methanone

1H-imidazol-2-yl(thiophen-2-yl)methanone (PubChem CID 2810569) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(thiophen-2-yl)methanone
PubChem CID2810569
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name1H-imidazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1ncc[nH]1)c1cccs1
InChIInChI=1S/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChIKeyGKSXJMYKQBIOCE-UHFFFAOYSA-N
XLogP1.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(thiophen-2-yl)methanone (CID 2810569) is 1H-imidazol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(thiophen-2-yl)methanone is O=C(c1ncc[nH]1)c1cccs1.
What is the InChIKey of 1H-imidazol-2-yl(thiophen-2-yl)methanone?
The InChIKey is GKSXJMYKQBIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10).
What are the key properties of 1H-imidazol-2-yl(thiophen-2-yl)methanone?
1H-imidazol-2-yl(thiophen-2-yl)methanone has a molecular weight of 178.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 2810569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).