2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol

C23H22N2O3S — CID 154667063

IUPAC2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OCC)c1O
InChIInChI=1S/C23H22N2O3S/c1-3-27-17-13-16(14-18(22(17)26)28-4-2)23-24-20(15-9-6-5-7-10-15)21(25-23)19-11-8-12-29-19/h5-14,26H,3-4H2,1-2H3,(H,24,25)
InChIKeyGEESGRNHYLBYGX-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.98
Rot. Bonds7

About 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol

2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (PubChem CID 154667063) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
PubChem CID154667063
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESCCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OCC)c1O
InChIInChI=1S/C23H22N2O3S/c1-3-27-17-13-16(14-18(22(17)26)28-4-2)23-24-20(15-9-6-5-7-10-15)21(25-23)19-11-8-12-29-19/h5-14,26H,3-4H2,1-2H3,(H,24,25)
InChIKeyGEESGRNHYLBYGX-UHFFFAOYSA-N
XLogP5.98
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (CID 154667063) is 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is CCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OCC)c1O.
What is the InChIKey of 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The InChIKey is GEESGRNHYLBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-27-17-13-16(14-18(22(17)26)28-4-2)23-24-20(15-9-6-5-7-10-15)21(25-23)19-11-8-12-29-19/h5-14,26H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol has a molecular weight of 406.51 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 154667063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).