2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid

C15H19Cl2N3O4 — CID 70555093

IUPAC2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid
SMILESCC(C)(C)c1nccn1CC(O)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H18Cl2N2O.HNO3/c1-15(2,3)14-18-6-7-19(14)9-13(20)11-5-4-10(16)8-12(11)17;2-1(3)4/h4-8,13,20H,9H2,1-3H3;(H,2,3,4)
InChIKeyGWUPCWYXDYDJPN-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid

2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid (PubChem CID 70555093) has the molecular formula C15H19Cl2N3O4 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid.

Molecular Properties

Compound Name2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid
PubChem CID70555093
Molecular FormulaC15H19Cl2N3O4
Molecular Weight376.24 g/mol
Exact Mass375.08
IUPAC Name2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid
SMILESCC(C)(C)c1nccn1CC(O)c1ccc(Cl)cc1Cl.O=[N+]([O-])O
InChIInChI=1S/C15H18Cl2N2O.HNO3/c1-15(2,3)14-18-6-7-19(14)9-13(20)11-5-4-10(16)8-12(11)17;2-1(3)4/h4-8,13,20H,9H2,1-3H3;(H,2,3,4)
InChIKeyGWUPCWYXDYDJPN-UHFFFAOYSA-N
XLogP3.87
TPSA101.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.87
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
(1S)-1-(2,4-dichlorophenyl)-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 95620512
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396
1-[2-(2,4-dichlorophenyl)-4-methylpentyl]-1,2,4-triazole;nitric acid
CID 70453532
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
CID 3054941
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
1-[2-(2,4-dichlorophenyl)-2-methylsulfanylethyl]-2-methoxy-4-nitroimidazole
CID 71618707
1-[2-(2,4-dichlorophenyl)-2-ethoxyethyl]-1,2,4-triazole;nitric acid
CID 70453630

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid?
The IUPAC name of 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid (CID 70555093) is 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid.
What is the SMILES notation for 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid?
The canonical SMILES for 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid is CC(C)(C)c1nccn1CC(O)c1ccc(Cl)cc1Cl.O=[N+]([O-])O.
What is the InChIKey of 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid?
The InChIKey is GWUPCWYXDYDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O.HNO3/c1-15(2,3)14-18-6-7-19(14)9-13(20)11-5-4-10(16)8-12(11)17;2-1(3)4/h4-8,13,20H,9H2,1-3H3;(H,2,3,4).
What are the key properties of 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid?
2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid has a molecular weight of 376.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol;nitric acid is sourced from PubChem (CID 70555093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).