[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate

C18H15Cl2N3O3 — CID 54452828

IUPAC[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate
SMILESO=[N+]([O-])OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H15Cl2N3O3/c19-16-7-4-8-17(20)15(16)11-18(26-23(24)25,12-22-10-9-21-13-22)14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyWWDBKZSLLZJTER-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.54
Rot. Bonds7

About [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate

[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate (PubChem CID 54452828) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate
PubChem CID54452828
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate
SMILESO=[N+]([O-])OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H15Cl2N3O3/c19-16-7-4-8-17(20)15(16)11-18(26-23(24)25,12-22-10-9-21-13-22)14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKeyWWDBKZSLLZJTER-UHFFFAOYSA-N
XLogP4.54
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.54
H-Bond Donors ≤ 50
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'}

Analyze [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-triphenylethyl)imidazole
CID 53325760
2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid
CID 173443390
2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
CID 70550084
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one
CID 70489971
1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
CID 142515228
[(E)-1-(4-chlorophenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl] nitrate
CID 22800050
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methanol
CID 114320427

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate?
The IUPAC name of [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate (CID 54452828) is [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate?
The canonical SMILES for [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate is O=[N+]([O-])OC(Cc1c(Cl)cccc1Cl)(Cn1ccnc1)c1ccccc1.
What is the InChIKey of [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate?
The InChIKey is WWDBKZSLLZJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-16-7-4-8-17(20)15(16)11-18(26-23(24)25,12-22-10-9-21-13-22)14-5-2-1-3-6-14/h1-10,13H,11-12H2.
What are the key properties of [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate?
[1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate has a molecular weight of 392.24 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-2-yl] nitrate is sourced from PubChem (CID 54452828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).