1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid

C19H19Cl2N3O5 — CID 162318190

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
SMILESCOc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H18Cl2N2O2.HNO3/c1-24-16-5-2-14(3-6-16)12-25-19(11-23-9-8-22-13-23)17-7-4-15(20)10-18(17)21;2-1(3)4/h2-10,13,19H,11-12H2,1H3;(H,2,3,4)
InChIKeyUJBJJDWLXMQNFS-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.81
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid

1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid (PubChem CID 162318190) has the molecular formula C19H19Cl2N3O5 and a molecular weight of 440.28 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
PubChem CID162318190
Molecular FormulaC19H19Cl2N3O5
Molecular Weight440.28 g/mol
Exact Mass439.07
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
SMILESCOc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H18Cl2N2O2.HNO3/c1-24-16-5-2-14(3-6-16)12-25-19(11-23-9-8-22-13-23)17-7-4-15(20)10-18(17)21;2-1(3)4/h2-10,13,19H,11-12H2,1H3;(H,2,3,4)
InChIKeyUJBJJDWLXMQNFS-UHFFFAOYSA-N
XLogP4.81
TPSA99.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.81
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-dichlorophenyl)-2-[(4-phenylphenyl)methoxy]ethyl]imidazole;nitric acid
CID 70595520
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-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054932
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
4-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoic acid
CID 167507029
1-[2-[2-(4-bromophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 24838966
1-[2-[(5,7-dichloro-1-benzofuran-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 70500005
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
4-[3-(4-butoxyphenoxy)propyl]morpholine;1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
CID 11643484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid (CID 162318190) is 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid is COc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid?
The InChIKey is UJBJJDWLXMQNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2.HNO3/c1-24-16-5-2-14(3-6-16)12-25-19(11-23-9-8-22-13-23)17-7-4-15(20)10-18(17)21;2-1(3)4/h2-10,13,19H,11-12H2,1H3;(H,2,3,4).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid?
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid has a molecular weight of 440.28 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid is sourced from PubChem (CID 162318190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).