thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone

C12H8N2OS2 — CID 10587435

IUPACthiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc(-c2cccs2)[nH]1)c1cccs1
InChIInChI=1S/C12H8N2OS2/c15-11(10-4-2-6-17-10)12-13-7-8(14-12)9-3-1-5-16-9/h1-7H,(H,13,14)
InChIKeyKWMNCFLTMOGAQI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.43
Rot. Bonds3

About thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone

thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone (PubChem CID 10587435) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Namethiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
PubChem CID10587435
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Namethiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
SMILESO=C(c1ncc(-c2cccs2)[nH]1)c1cccs1
InChIInChI=1S/C12H8N2OS2/c15-11(10-4-2-6-17-10)12-13-7-8(14-12)9-3-1-5-16-9/h1-7H,(H,13,14)
InChIKeyKWMNCFLTMOGAQI-UHFFFAOYSA-N
XLogP3.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone?
The IUPAC name of thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone (CID 10587435) is thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone?
The canonical SMILES for thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone is O=C(c1ncc(-c2cccs2)[nH]1)c1cccs1.
What is the InChIKey of thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone?
The InChIKey is KWMNCFLTMOGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-11(10-4-2-6-17-10)12-13-7-8(14-12)9-3-1-5-16-9/h1-7H,(H,13,14).
What are the key properties of thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone?
thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 10587435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).