4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

C21H13BrCl2N2O — CID 2247913

IUPAC4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C21H13BrCl2N2O/c22-13-9-10-17(27)15(11-13)21-25-19(12-5-2-1-3-6-12)20(26-21)14-7-4-8-16(23)18(14)24/h1-11,27H,(H,25,26)
InChIKeyARVKLYYUEQOBFE-UHFFFAOYSA-N
MW460.16 g/mol
LogP7.19
Rot. Bonds3

About 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 2247913) has the molecular formula C21H13BrCl2N2O and a molecular weight of 460.16 g/mol. Its IUPAC name is 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
PubChem CID2247913
Molecular FormulaC21H13BrCl2N2O
Molecular Weight460.16 g/mol
Exact Mass457.96
IUPAC Name4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C21H13BrCl2N2O/c22-13-9-10-17(27)15(11-13)21-25-19(12-5-2-1-3-6-12)20(26-21)14-7-4-8-16(23)18(14)24/h1-11,27H,(H,25,26)
InChIKeyARVKLYYUEQOBFE-UHFFFAOYSA-N
XLogP7.19
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.16
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (CID 2247913) is 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is Oc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is ARVKLYYUEQOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrCl2N2O/c22-13-9-10-17(27)15(11-13)21-25-19(12-5-2-1-3-6-12)20(26-21)14-7-4-8-16(23)18(14)24/h1-11,27H,(H,25,26).
What are the key properties of 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol has a molecular weight of 460.16 g/mol, XLogP of 7.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 2247913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).