[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

C12H14ClFN4 — CID 105215277

IUPAC[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN4/c1-2-18-6-5-16-12(18)11(17-15)9-4-3-8(14)7-10(9)13/h3-7,11,17H,2,15H2,1H3
InChIKeyPWNNONFNFIAFFR-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.25
Rot. Bonds4

About [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine

[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (PubChem CID 105215277) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
PubChem CID105215277
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
SMILESCCn1ccnc1C(NN)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN4/c1-2-18-6-5-16-12(18)11(17-15)9-4-3-8(14)7-10(9)13/h3-7,11,17H,2,15H2,1H3
InChIKeyPWNNONFNFIAFFR-UHFFFAOYSA-N
XLogP2.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.25
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

[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308409
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
[(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105308467
4-bromo-2-[(1-ethylimidazol-2-yl)-hydrazinylmethyl]aniline
CID 105263384
[(2,5-dimethylfuran-3-yl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308447
[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
[(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308368

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine (CID 105215277) is [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is CCn1ccnc1C(NN)c1ccc(F)cc1Cl.
What is the InChIKey of [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
The InChIKey is PWNNONFNFIAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-2-18-6-5-16-12(18)11(17-15)9-4-3-8(14)7-10(9)13/h3-7,11,17H,2,15H2,1H3.
What are the key properties of [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine?
[(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine has a molecular weight of 268.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-fluorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 105215277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).