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

C25H32N2O2 — CID 134824329

IUPAC4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole
SMILESCCCCCCCCc1nc(-c2ccccc2OC)c(-c2ccccc2OC)[nH]1
InChIInChI=1S/C25H32N2O2/c1-4-5-6-7-8-9-18-23-26-24(19-14-10-12-16-21(19)28-2)25(27-23)20-15-11-13-17-22(20)29-3/h10-17H,4-9,18H2,1-3H3,(H,26,27)
InChIKeyQEXLMENULSTOHY-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.66
Rot. Bonds11

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

4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole (PubChem CID 134824329) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole
PubChem CID134824329
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole
SMILESCCCCCCCCc1nc(-c2ccccc2OC)c(-c2ccccc2OC)[nH]1
InChIInChI=1S/C25H32N2O2/c1-4-5-6-7-8-9-18-23-26-24(19-14-10-12-16-21(19)28-2)25(27-23)20-15-11-13-17-22(20)29-3/h10-17H,4-9,18H2,1-3H3,(H,26,27)
InChIKeyQEXLMENULSTOHY-UHFFFAOYSA-N
XLogP6.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole?
The IUPAC name of 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole (CID 134824329) is 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole.
What is the SMILES notation for 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole?
The canonical SMILES for 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole is CCCCCCCCc1nc(-c2ccccc2OC)c(-c2ccccc2OC)[nH]1.
What is the InChIKey of 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole?
The InChIKey is QEXLMENULSTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-5-6-7-8-9-18-23-26-24(19-14-10-12-16-21(19)28-2)25(27-23)20-15-11-13-17-22(20)29-3/h10-17H,4-9,18H2,1-3H3,(H,26,27).
What are the key properties of 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole?
4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole has a molecular weight of 392.54 g/mol, XLogP of 6.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methoxyphenyl)-2-octyl-1H-imidazole is sourced from PubChem (CID 134824329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).