5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole

C23H18N4OS — CID 25031375

IUPAC5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H18N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15H,1H3,(H,25,26)
InChIKeyXYSFZDFCHPVSIJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.67
Rot. Bonds5

About 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole

5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole (PubChem CID 25031375) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
PubChem CID25031375
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H18N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15H,1H3,(H,25,26)
InChIKeyXYSFZDFCHPVSIJ-UHFFFAOYSA-N
XLogP5.67
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole (CID 25031375) is 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole is COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The InChIKey is XYSFZDFCHPVSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-28-19-10-6-17(7-11-19)22-21(25-23(26-22)20-3-2-14-29-20)16-4-8-18(9-5-16)27-13-12-24-15-27/h2-15H,1H3,(H,25,26).
What are the key properties of 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole has a molecular weight of 398.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 25031375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).