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

C13H16BrIN4 — CID 114027386

IUPAC[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1cc(I)ccc1Br
InChIInChI=1S/C13H16BrIN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(15)3-4-11(10)14/h3-7,12,18H,2,8,16H2,1H3
InChIKeyVWERTHUQJSNWIU-UHFFFAOYSA-N
MW435.11 g/mol
LogP3.02
Rot. Bonds5

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

[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine (PubChem CID 114027386) has the molecular formula C13H16BrIN4 and a molecular weight of 435.11 g/mol. Its IUPAC name is [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
PubChem CID114027386
Molecular FormulaC13H16BrIN4
Molecular Weight435.11 g/mol
Exact Mass433.96
IUPAC Name[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1cc(I)ccc1Br
InChIInChI=1S/C13H16BrIN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(15)3-4-11(10)14/h3-7,12,18H,2,8,16H2,1H3
InChIKeyVWERTHUQJSNWIU-UHFFFAOYSA-N
XLogP3.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.11
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
[1-(5-bromofuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321933
[1-(2-ethoxyphenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105260835
[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
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105321923
[1-(2-bromo-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323345
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
[2-(1-ethylimidazol-2-yl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105321872
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine (CID 114027386) is [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine is CCn1ccnc1CC(NN)c1cc(I)ccc1Br.
What is the InChIKey of [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is VWERTHUQJSNWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN4/c1-2-19-6-5-17-13(19)8-12(18-16)10-7-9(15)3-4-11(10)14/h3-7,12,18H,2,8,16H2,1H3.
What are the key properties of [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine?
[1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 435.11 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-iodophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 114027386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).