1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid

C15H17Cl2N3O3 — CID 70462656

IUPAC1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
SMILESCC(C)(C)C(=Cn1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H16Cl2N2.HNO3/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17;2-1(3)4/h4-10H,1-3H3;(H,2,3,4)
InChIKeyPQFVKPKNNCCGJC-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.89
Rot. Bonds2

About 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid

1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid (PubChem CID 70462656) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
PubChem CID70462656
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid
SMILESCC(C)(C)C(=Cn1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H16Cl2N2.HNO3/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17;2-1(3)4/h4-10H,1-3H3;(H,2,3,4)
InChIKeyPQFVKPKNNCCGJC-UHFFFAOYSA-N
XLogP4.89
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
1-[2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 70582230
1-[3,3-dimethyl-2-[4-(2-methylpropyl)phenyl]but-1-enyl]imidazole;nitric acid
CID 70463760
[2-(2,4-dichlorophenyl)-3-imidazol-1-ylprop-2-enyl]sulfanylmethanol
CID 70583033
1-[(E)-2-(2,4-dichlorophenyl)oct-1-enyl]imidazole
CID 70462354
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethenyl] 4-chlorobenzoate
CID 4991198
1-[(E)-2-chloro-2-phenylethenyl]imidazole;nitric acid
CID 88621940
1-[2-(2,6-difluorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70464038
1-[(Z)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 10250981
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 3033986
1-[2-[(2-chlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 54027975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid (CID 70462656) is 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid is CC(C)(C)C(=Cn1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid?
The InChIKey is PQFVKPKNNCCGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2.HNO3/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17;2-1(3)4/h4-10H,1-3H3;(H,2,3,4).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid?
1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid has a molecular weight of 358.23 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole;nitric acid is sourced from PubChem (CID 70462656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).