5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde

C23H18N2O3 — CID 155928252

IUPAC5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C=O)c1O
InChIInChI=1S/C23H18N2O3/c1-28-19-13-17(12-18(14-26)22(19)27)23-24-20(15-8-4-2-5-9-15)21(25-23)16-10-6-3-7-11-16/h2-14,27H,1H3,(H,24,25)
InChIKeyIJXHEDIRCZGVOW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.94
Rot. Bonds5

About 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde

5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 155928252) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde
PubChem CID155928252
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C=O)c1O
InChIInChI=1S/C23H18N2O3/c1-28-19-13-17(12-18(14-26)22(19)27)23-24-20(15-8-4-2-5-9-15)21(25-23)16-10-6-3-7-11-16/h2-14,27H,1H3,(H,24,25)
InChIKeyIJXHEDIRCZGVOW-UHFFFAOYSA-N
XLogP4.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde (CID 155928252) is 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C=O)c1O.
What is the InChIKey of 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is IJXHEDIRCZGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-19-13-17(12-18(14-26)22(19)27)23-24-20(15-8-4-2-5-9-15)21(25-23)16-10-6-3-7-11-16/h2-14,27H,1H3,(H,24,25).
What are the key properties of 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde?
5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 370.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 155928252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).