1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid

C20H21Cl2N3O4 — CID 71397350

IUPAC1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
SMILESCCCC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1.O=[N+]([O-])O
InChIInChI=1S/C20H20Cl2N2O.HNO3/c1-2-5-19(24-11-10-23-14-24)17-6-3-4-7-20(17)25-13-15-8-9-16(21)12-18(15)22;2-1(3)4/h3-4,6-12,14,19H,2,5,13H2,1H3;(H,2,3,4)
InChIKeyCTAJSULHGMOARJ-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.81
Rot. Bonds7

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

1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid (PubChem CID 71397350) has the molecular formula C20H21Cl2N3O4 and a molecular weight of 438.31 g/mol. Its IUPAC name is 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
PubChem CID71397350
Molecular FormulaC20H21Cl2N3O4
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
SMILESCCCC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1.O=[N+]([O-])O
InChIInChI=1S/C20H20Cl2N2O.HNO3/c1-2-5-19(24-11-10-23-14-24)17-6-3-4-7-20(17)25-13-15-8-9-16(21)12-18(15)22;2-1(3)4/h3-4,6-12,14,19H,2,5,13H2,1H3;(H,2,3,4)
InChIKeyCTAJSULHGMOARJ-UHFFFAOYSA-N
XLogP5.81
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
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-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid 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-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-imidazol-1-yl-N-methoxymethanimine
CID 22904486
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;4-methylbenzenesulfonic acid
CID 14062131
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
CID 14062132
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
bis[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-3-imidazol-1-ylprop-1-enyl] oxalate
CID 57052475
[2-butoxy-2-(2,4-dichlorophenyl)-1-imidazol-1-ylethyl] nitrate
CID 173429455
1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
CID 21481581

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid?
The IUPAC name of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid (CID 71397350) is 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid.
What is the SMILES notation for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid?
The canonical SMILES for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid is CCCC(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1.O=[N+]([O-])O.
What is the InChIKey of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid?
The InChIKey is CTAJSULHGMOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O.HNO3/c1-2-5-19(24-11-10-23-14-24)17-6-3-4-7-20(17)25-13-15-8-9-16(21)12-18(15)22;2-1(3)4/h3-4,6-12,14,19H,2,5,13H2,1H3;(H,2,3,4).
What are the key properties of 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid?
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid has a molecular weight of 438.31 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid is sourced from PubChem (CID 71397350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).