[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine

C13H16BrFN4 — CID 105280778

IUPAC[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(14)3-4-11(10)15/h3-7,12,18H,2,8,16H2,1H3
InChIKeyVEVBQYMRGLMVPS-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.55
Rot. Bonds5

About [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine

[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105280778) has the molecular formula C13H16BrFN4 and a molecular weight of 327.20 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
PubChem CID105280778
Molecular FormulaC13H16BrFN4
Molecular Weight327.20 g/mol
Exact Mass326.05
IUPAC Name[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C13H16BrFN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(14)3-4-11(10)15/h3-7,12,18H,2,8,16H2,1H3
InChIKeyVEVBQYMRGLMVPS-UHFFFAOYSA-N
XLogP2.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009162
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105257015
[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 114027386
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105321923
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
[2-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192874
[1-(2-chlorofuran-3-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 106694577
[1-(4-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105222666
1-(2-bromo-3,4-difluorophenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 107539233
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
[1-(5-bromofuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321933

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine (CID 105280778) is [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine is CCn1ccnc1CC(NN)c1cc(Br)ccc1F.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is VEVBQYMRGLMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(14)3-4-11(10)15/h3-7,12,18H,2,8,16H2,1H3.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 327.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105280778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).