4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol

C17H12N2OS2 — CID 2295868

IUPAC4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C17H12N2OS2/c20-12-7-5-11(6-8-12)17-18-15(13-3-1-9-21-13)16(19-17)14-4-2-10-22-14/h1-10,20H,(H,18,19)
InChIKeyUAMYPYGPRIESDG-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.24
Rot. Bonds3

About 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol

4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol (PubChem CID 2295868) has the molecular formula C17H12N2OS2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol
PubChem CID2295868
Molecular FormulaC17H12N2OS2
Molecular Weight324.43 g/mol
Exact Mass324.04
IUPAC Name4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESOc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C17H12N2OS2/c20-12-7-5-11(6-8-12)17-18-15(13-3-1-9-21-13)16(19-17)14-4-2-10-22-14/h1-10,20H,(H,18,19)
InChIKeyUAMYPYGPRIESDG-UHFFFAOYSA-N
XLogP5.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol?
The IUPAC name of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol (CID 2295868) is 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol is Oc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol?
The InChIKey is UAMYPYGPRIESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS2/c20-12-7-5-11(6-8-12)17-18-15(13-3-1-9-21-13)16(19-17)14-4-2-10-22-14/h1-10,20H,(H,18,19).
What are the key properties of 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol?
4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol has a molecular weight of 324.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 2295868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).