1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid

C19H18Cl3N3O5 — CID 70638827

IUPAC1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
SMILESClc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H17Cl3N2O2.HNO3/c20-15-2-4-16(5-3-15)26-12-17(10-24-8-7-23-13-24)25-11-14-1-6-18(21)19(22)9-14;2-1(3)4/h1-9,13,17H,10-12H2;(H,2,3,4)
InChIKeyLFRJVZRSGWAKLI-UHFFFAOYSA-N
MW474.73 g/mol
LogP5.16
Rot. Bonds8

About 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid

1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid (PubChem CID 70638827) has the molecular formula C19H18Cl3N3O5 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
PubChem CID70638827
Molecular FormulaC19H18Cl3N3O5
Molecular Weight474.73 g/mol
Exact Mass473.03
IUPAC Name1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
SMILESClc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H17Cl3N2O2.HNO3/c20-15-2-4-16(5-3-15)26-12-17(10-24-8-7-23-13-24)25-11-14-1-6-18(21)19(22)9-14;2-1(3)4/h1-9,13,17H,10-12H2;(H,2,3,4)
InChIKeyLFRJVZRSGWAKLI-UHFFFAOYSA-N
XLogP5.16
TPSA99.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
CID 162318190
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[2-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54183538
1-[2-[(4-chlorophenyl)methylsulfanyl]-3-[(2,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
CID 70638499
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
1-[2-[2-(4-bromophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 24838966
1-[(2R)-2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 76963410
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
1-[4-(4-chlorophenyl)-2-(2,4,6-trichlorophenyl)sulfanylbutyl]imidazole;nitric acid
CID 172777535
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396
1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
CID 168679818

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid?
The IUPAC name of 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid (CID 70638827) is 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid?
The canonical SMILES for 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid is Clc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)cc1.O=[N+]([O-])O.
What is the InChIKey of 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid?
The InChIKey is LFRJVZRSGWAKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O2.HNO3/c20-15-2-4-16(5-3-15)26-12-17(10-24-8-7-23-13-24)25-11-14-1-6-18(21)19(22)9-14;2-1(3)4/h1-9,13,17H,10-12H2;(H,2,3,4).
What are the key properties of 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid?
1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid has a molecular weight of 474.73 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid is sourced from PubChem (CID 70638827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).