5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole

C23H20N2O2 — CID 13308962

IUPAC5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole
SMILESCCOc1ccc(-c2[nH]c(/C=C/c3ccco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-26-20-12-10-18(11-13-20)23-22(17-7-4-3-5-8-17)24-21(25-23)15-14-19-9-6-16-27-19/h3-16H,2H2,1H3,(H,24,25)/b15-14+
InChIKeyAAFBLPFSICTSKX-CCEZHUSRSA-N
MW356.43 g/mol
LogP5.91
Rot. Bonds6

About 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole

5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole (PubChem CID 13308962) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole
PubChem CID13308962
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole
SMILESCCOc1ccc(-c2[nH]c(/C=C/c3ccco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-26-20-12-10-18(11-13-20)23-22(17-7-4-3-5-8-17)24-21(25-23)15-14-19-9-6-16-27-19/h3-16H,2H2,1H3,(H,24,25)/b15-14+
InChIKeyAAFBLPFSICTSKX-CCEZHUSRSA-N
XLogP5.91
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole?
The IUPAC name of 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole (CID 13308962) is 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole is CCOc1ccc(-c2[nH]c(/C=C/c3ccco3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole?
The InChIKey is AAFBLPFSICTSKX-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-26-20-12-10-18(11-13-20)23-22(17-7-4-3-5-8-17)24-21(25-23)15-14-19-9-6-16-27-19/h3-16H,2H2,1H3,(H,24,25)/b15-14+.
What are the key properties of 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole?
5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole has a molecular weight of 356.43 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-[(E)-2-(furan-2-yl)ethenyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 13308962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).