1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid

C15H17Cl2N3O4 — CID 3038103

IUPAC1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
SMILESCCCCO/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H16Cl2N2O.HNO3/c1-2-3-8-20-15(10-19-7-6-18-11-19)13-5-4-12(16)9-14(13)17;2-1(3)4/h4-7,9-11H,2-3,8H2,1H3;(H,2,3,4)/b15-10-;
InChIKeyMFOUOQOBNZLFAS-AZJSCORLSA-N
MW374.22 g/mol
LogP4.61
Rot. Bonds6

About 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid

1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid (PubChem CID 3038103) has the molecular formula C15H17Cl2N3O4 and a molecular weight of 374.22 g/mol. Its IUPAC name is 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
PubChem CID3038103
Molecular FormulaC15H17Cl2N3O4
Molecular Weight374.22 g/mol
Exact Mass373.06
IUPAC Name1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
SMILESCCCCO/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H16Cl2N2O.HNO3/c1-2-3-8-20-15(10-19-7-6-18-11-19)13-5-4-12(16)9-14(13)17;2-1(3)4/h4-7,9-11H,2-3,8H2,1H3;(H,2,3,4)/b15-10-;
InChIKeyMFOUOQOBNZLFAS-AZJSCORLSA-N
XLogP4.61
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid?
The IUPAC name of 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid (CID 3038103) is 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid.
What is the SMILES notation for 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid?
The canonical SMILES for 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid is CCCCO/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl.O=[N+]([O-])O.
What is the InChIKey of 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid?
The InChIKey is MFOUOQOBNZLFAS-AZJSCORLSA-N. The full InChI is InChI=1S/C15H16Cl2N2O.HNO3/c1-2-3-8-20-15(10-19-7-6-18-11-19)13-5-4-12(16)9-14(13)17;2-1(3)4/h4-7,9-11H,2-3,8H2,1H3;(H,2,3,4)/b15-10-;.
What are the key properties of 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid?
1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid has a molecular weight of 374.22 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid is sourced from PubChem (CID 3038103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).