2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole

C24H22N2O3 — CID 22310604

IUPAC2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccccc3OC)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H22N2O3/c1-27-18-10-6-8-16(14-18)22-23(17-9-7-11-19(15-17)28-2)26-24(25-22)20-12-4-5-13-21(20)29-3/h4-15H,1-3H3,(H,25,26)
InChIKeyVHXJZQOCOMQDHK-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.44
Rot. Bonds6

About 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole

2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole (PubChem CID 22310604) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
PubChem CID22310604
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccccc3OC)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H22N2O3/c1-27-18-10-6-8-16(14-18)22-23(17-9-7-11-19(15-17)28-2)26-24(25-22)20-12-4-5-13-21(20)29-3/h4-15H,1-3H3,(H,25,26)
InChIKeyVHXJZQOCOMQDHK-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole (CID 22310604) is 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole is COc1cccc(-c2nc(-c3ccccc3OC)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
The InChIKey is VHXJZQOCOMQDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-27-18-10-6-8-16(14-18)22-23(17-9-7-11-19(15-17)28-2)26-24(25-22)20-12-4-5-13-21(20)29-3/h4-15H,1-3H3,(H,25,26).
What are the key properties of 2-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole?
2-(2-methoxyphenyl)-4,5-bis(3-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-(2-methoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 22310604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).