2,4,5-tris(4-methoxyphenyl)-1H-imidazole

C24H22N2O3 — CID 1076653

IUPAC2,4,5-tris(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15H,1-3H3,(H,25,26)
InChIKeyRKJRANQNAKBIFU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.44
Rot. Bonds6

About 2,4,5-tris(4-methoxyphenyl)-1H-imidazole

2,4,5-tris(4-methoxyphenyl)-1H-imidazole (PubChem CID 1076653) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,4,5-tris(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2,4,5-tris(4-methoxyphenyl)-1H-imidazole
PubChem CID1076653
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2,4,5-tris(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C24H22N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15H,1-3H3,(H,25,26)
InChIKeyRKJRANQNAKBIFU-UHFFFAOYSA-N
XLogP5.44
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.44
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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Related Compounds

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2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
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Anitrazafen
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4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2,4,5-tris(4-methoxyphenyl)-1H-imidazole (CID 1076653) is 2,4,5-tris(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2,4,5-tris(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2,4,5-tris(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1.
What is the InChIKey of 2,4,5-tris(4-methoxyphenyl)-1H-imidazole?
The InChIKey is RKJRANQNAKBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15H,1-3H3,(H,25,26).
What are the key properties of 2,4,5-tris(4-methoxyphenyl)-1H-imidazole?
2,4,5-tris(4-methoxyphenyl)-1H-imidazole has a molecular weight of 386.45 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 1076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).