4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole

C22H20N2O3 — CID 40532851

IUPAC4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C)o3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-14-4-13-19(27-14)22-23-20(15-5-9-17(25-2)10-6-15)21(24-22)16-7-11-18(26-3)12-8-16/h4-13H,1-3H3,(H,23,24)
InChIKeyRXLISILRNYHBSS-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.33
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole (PubChem CID 40532851) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
PubChem CID40532851
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(C)o3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-14-4-13-19(27-14)22-23-20(15-5-9-17(25-2)10-6-15)21(24-22)16-7-11-18(26-3)12-8-16/h4-13H,1-3H3,(H,23,24)
InChIKeyRXLISILRNYHBSS-UHFFFAOYSA-N
XLogP5.33
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole (CID 40532851) is 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole is COc1ccc(-c2nc(-c3ccc(C)o3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole?
The InChIKey is RXLISILRNYHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-4-13-19(27-14)22-23-20(15-5-9-17(25-2)10-6-15)21(24-22)16-7-11-18(26-3)12-8-16/h4-13H,1-3H3,(H,23,24).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole has a molecular weight of 360.41 g/mol, XLogP of 5.33, 5 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-(5-methylfuran-2-yl)-1H-imidazole is sourced from PubChem (CID 40532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).