[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine

C13H17FN4 — CID 106884398

IUPAC[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2nccn2C)c(F)c1
InChIInChI=1S/C13H17FN4/c1-8-6-9(2)11(10(14)7-8)12(17-15)13-16-4-5-18(13)3/h4-7,12,17H,15H2,1-3H3
InChIKeyVKYITVPPSZYTNJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.73
Rot. Bonds3

About [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine

[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine (PubChem CID 106884398) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
PubChem CID106884398
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2nccn2C)c(F)c1
InChIInChI=1S/C13H17FN4/c1-8-6-9(2)11(10(14)7-8)12(17-15)13-16-4-5-18(13)3/h4-7,12,17H,15H2,1-3H3
InChIKeyVKYITVPPSZYTNJ-UHFFFAOYSA-N
XLogP1.73
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.73
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

N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308170
[(1-methylimidazol-2-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261529
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
[(1-methylimidazol-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105258086
[(1-methylimidazol-2-yl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261853
[(2-fluoro-4,6-dimethylphenyl)-pyridazin-4-ylmethyl]hydrazine
CID 106884580
[(2-fluoro-4,6-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 106884386
[(1-methylimidazol-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203671
[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251798
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine (CID 106884398) is [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine is Cc1cc(C)c(C(NN)c2nccn2C)c(F)c1.
What is the InChIKey of [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
The InChIKey is VKYITVPPSZYTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-8-6-9(2)11(10(14)7-8)12(17-15)13-16-4-5-18(13)3/h4-7,12,17H,15H2,1-3H3.
What are the key properties of [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine?
[(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine has a molecular weight of 248.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-4,6-dimethylphenyl)-(1-methylimidazol-2-yl)methyl]hydrazine is sourced from PubChem (CID 106884398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).