[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine

C11H12F2N4 — CID 105264680

IUPAC[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-17-6-15-5-10(17)11(16-14)8-3-2-7(12)4-9(8)13/h2-6,11,16H,14H2,1H3
InChIKeyJIMMCDBMVWUHMN-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.25
Rot. Bonds3

About [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine

[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 105264680) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
PubChem CID105264680
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cncc1C(NN)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-17-6-15-5-10(17)11(16-14)8-3-2-7(12)4-9(8)13/h2-6,11,16H,14H2,1H3
InChIKeyJIMMCDBMVWUHMN-UHFFFAOYSA-N
XLogP1.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine (CID 105264680) is [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine is Cn1cncc1C(NN)c1ccc(F)cc1F.
What is the InChIKey of [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is JIMMCDBMVWUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-17-6-15-5-10(17)11(16-14)8-3-2-7(12)4-9(8)13/h2-6,11,16H,14H2,1H3.
What are the key properties of [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine?
[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 238.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105264680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).