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

C23H20N2O2 — CID 1102214

IUPAC4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-26-19-12-8-16(9-13-19)21-22(17-10-14-20(27-2)15-11-17)25-23(24-21)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)
InChIKeyCNPDNHIOIMOZMY-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.43
Rot. Bonds5

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

4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole (PubChem CID 1102214) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole
PubChem CID1102214
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-26-19-12-8-16(9-13-19)21-22(17-10-14-20(27-2)15-11-17)25-23(24-21)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)
InChIKeyCNPDNHIOIMOZMY-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 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole (CID 1102214) is 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole?
The InChIKey is CNPDNHIOIMOZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-19-12-8-16(9-13-19)21-22(17-10-14-20(27-2)15-11-17)25-23(24-21)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-phenyl-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 4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole is sourced from PubChem (CID 1102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).