4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole

C20H20N2O2S — CID 139680874

IUPAC4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
SMILESCOc1ccc(-c2nc(/C=C/SC)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-23-16-8-4-14(5-9-16)19-20(22-18(21-19)12-13-25-3)15-6-10-17(24-2)11-7-15/h4-13H,1-3H3,(H,21,22)/b13-12+
InChIKeyNKTWOQMKYQENNX-OUKQBFOZSA-N
MW352.46 g/mol
LogP5.09
Rot. Bonds6

About 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole (PubChem CID 139680874) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
PubChem CID139680874
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole
SMILESCOc1ccc(-c2nc(/C=C/SC)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-23-16-8-4-14(5-9-16)19-20(22-18(21-19)12-13-25-3)15-6-10-17(24-2)11-7-15/h4-13H,1-3H3,(H,21,22)/b13-12+
InChIKeyNKTWOQMKYQENNX-OUKQBFOZSA-N
XLogP5.09
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole (CID 139680874) is 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole is COc1ccc(-c2nc(/C=C/SC)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole?
The InChIKey is NKTWOQMKYQENNX-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-23-16-8-4-14(5-9-16)19-20(22-18(21-19)12-13-25-3)15-6-10-17(24-2)11-7-15/h4-13H,1-3H3,(H,21,22)/b13-12+.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole has a molecular weight of 352.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-[(E)-2-methylsulfanylethenyl]-1H-imidazole is sourced from PubChem (CID 139680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).