2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid

C18H16BrCl2N3O4 — CID 70550084

IUPAC2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
SMILESO=[N+]([O-])O.OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C18H15BrCl2N2O.HNO3/c19-16-9-14(20)5-6-15(16)18(24,11-23-8-7-22-12-23)10-13-3-1-2-4-17(13)21;2-1(3)4/h1-9,12,24H,10-11H2;(H,2,3,4)
InChIKeyJXCMMGOODHCPIO-UHFFFAOYSA-N
MW489.15 g/mol
LogP4.74
Rot. Bonds5

About 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid

2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid (PubChem CID 70550084) has the molecular formula C18H16BrCl2N3O4 and a molecular weight of 489.15 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
PubChem CID70550084
Molecular FormulaC18H16BrCl2N3O4
Molecular Weight489.15 g/mol
Exact Mass486.97
IUPAC Name2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
SMILESO=[N+]([O-])O.OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C18H15BrCl2N2O.HNO3/c19-16-9-14(20)5-6-15(16)18(24,11-23-8-7-22-12-23)10-13-3-1-2-4-17(13)21;2-1(3)4/h1-9,12,24H,10-11H2;(H,2,3,4)
InChIKeyJXCMMGOODHCPIO-UHFFFAOYSA-N
XLogP4.74
TPSA101.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.15
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid (CID 70550084) is 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid is O=[N+]([O-])O.OC(Cc1ccccc1Cl)(Cn1ccnc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid?
The InChIKey is JXCMMGOODHCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N2O.HNO3/c19-16-9-14(20)5-6-15(16)18(24,11-23-8-7-22-12-23)10-13-3-1-2-4-17(13)21;2-1(3)4/h1-9,12,24H,10-11H2;(H,2,3,4).
What are the key properties of 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid?
2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid has a molecular weight of 489.15 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid is sourced from PubChem (CID 70550084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).