4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate

C26H17N2O2- — CID 7030216

IUPAC4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate
SMILESO=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C26H18N2O2/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,27,28)(H,29,30)/p-1
InChIKeyMGYIQSXGMXWYRG-UHFFFAOYSA-M
MW389.43 g/mol
LogP4.93
Rot. Bonds4

About 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate

4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate (PubChem CID 7030216) has the molecular formula C26H17N2O2- and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate
PubChem CID7030216
Molecular FormulaC26H17N2O2-
Molecular Weight389.43 g/mol
Exact Mass389.13
IUPAC Name4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate
SMILESO=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C26H18N2O2/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,27,28)(H,29,30)/p-1
InChIKeyMGYIQSXGMXWYRG-UHFFFAOYSA-M
XLogP4.93
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.93
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-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate?
The IUPAC name of 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate (CID 7030216) is 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate.
What is the SMILES notation for 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate?
The canonical SMILES for 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate is O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc34)[nH]2)cc1.
What is the InChIKey of 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate?
The InChIKey is MGYIQSXGMXWYRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H18N2O2/c29-26(30)20-15-13-19(14-16-20)25-27-23(18-8-2-1-3-9-18)24(28-25)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,27,28)(H,29,30)/p-1.
What are the key properties of 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate?
4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate has a molecular weight of 389.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 7030216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).