[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine

C13H17ClN4O — CID 114273031

IUPAC[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine
SMILESCCn1cnc(C(COc2ccc(Cl)cc2)NN)c1
InChIInChI=1S/C13H17ClN4O/c1-2-18-7-12(16-9-18)13(17-15)8-19-11-5-3-10(14)4-6-11/h3-7,9,13,17H,2,8,15H2,1H3
InChIKeyBYINVJVALIXSGO-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.14
Rot. Bonds6

About [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine

[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine (PubChem CID 114273031) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine
PubChem CID114273031
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine
SMILESCCn1cnc(C(COc2ccc(Cl)cc2)NN)c1
InChIInChI=1S/C13H17ClN4O/c1-2-18-7-12(16-9-18)13(17-15)8-19-11-5-3-10(14)4-6-11/h3-7,9,13,17H,2,8,15H2,1H3
InChIKeyBYINVJVALIXSGO-UHFFFAOYSA-N
XLogP2.14
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(4-chlorophenoxy)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105281305
[2-(4-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105332615
1-ethyl-4-propan-2-ylimidazole
CID 10057571
[1-(3-bromofuran-2-yl)-2-(4-chlorophenoxy)ethyl]hydrazine
CID 105309106
[1-(1-ethylpyrazol-4-yl)-2-phenoxyethyl]hydrazine
CID 105212974
(1-ethylimidazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 114272954
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
CID 105146820
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103537
1-(4-chlorophenyl)-2-[4-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethanol
CID 167863092
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
[1-(1-ethylimidazol-2-yl)-2-phenoxyethyl]hydrazine
CID 105212900

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine (CID 114273031) is [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine is CCn1cnc(C(COc2ccc(Cl)cc2)NN)c1.
What is the InChIKey of [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine?
The InChIKey is BYINVJVALIXSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-2-18-7-12(16-9-18)13(17-15)8-19-11-5-3-10(14)4-6-11/h3-7,9,13,17H,2,8,15H2,1H3.
What are the key properties of [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine?
[2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine has a molecular weight of 280.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenoxy)-1-(1-ethylimidazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 114273031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).