2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole

C23H20N2O2 — CID 1036272

IUPAC2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1
InChIInChI=1S/C23H20N2O2/c1-26-18-13-14-19(20(15-18)27-2)23-24-21(16-9-5-3-6-10-16)22(25-23)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,24,25)
InChIKeyCTWRMVAKUSJNBK-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.43
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole

2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 1036272) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
PubChem CID1036272
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1
InChIInChI=1S/C23H20N2O2/c1-26-18-13-14-19(20(15-18)27-2)23-24-21(16-9-5-3-6-10-16)22(25-23)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,24,25)
InChIKeyCTWRMVAKUSJNBK-UHFFFAOYSA-N
XLogP5.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole (CID 1036272) is 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is CTWRMVAKUSJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-18-13-14-19(20(15-18)27-2)23-24-21(16-9-5-3-6-10-16)22(25-23)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,24,25).
What are the key properties of 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole?
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 356.43 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 1036272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).