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

C46H40N4O4 — CID 139192553

IUPAC4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/2C23H20N2O2/c2*1-26-19-12-8-16(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/h2*3-15H,1-2H3,(H,24,25)
InChIKeyCRYDLHXFVKLDSY-UHFFFAOYSA-N
MW712.85 g/mol
LogP10.86
Rot. Bonds10

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

4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole (PubChem CID 139192553) has the molecular formula C46H40N4O4 and a molecular weight of 712.85 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 CID139192553
Molecular FormulaC46H40N4O4
Molecular Weight712.85 g/mol
Exact Mass712.30
IUPAC Name4,5-bis(4-methoxyphenyl)-2-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/2C23H20N2O2/c2*1-26-19-12-8-16(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/h2*3-15H,1-2H3,(H,24,25)
InChIKeyCRYDLHXFVKLDSY-UHFFFAOYSA-N
XLogP10.86
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 510.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 139192553) 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.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 CRYDLHXFVKLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N2O2/c2*1-26-19-12-8-16(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/h2*3-15H,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 712.85 g/mol, XLogP of 10.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 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 139192553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).