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

C21H18N2O3S — CID 1131802

IUPAC2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)
InChIKeyJMXVHYPSBANVAQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.20
Rot. Bonds5

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

2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (PubChem CID 1131802) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
PubChem CID1131802
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)
InChIKeyJMXVHYPSBANVAQ-UHFFFAOYSA-N
XLogP5.20
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol (CID 1131802) is 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
The InChIKey is JMXVHYPSBANVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23).
What are the key properties of 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol?
2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol has a molecular weight of 378.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 1131802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).