[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine

C12H14BrFN4 — CID 107954276

IUPAC[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(13)12(8)14/h2-6,10,17H,7,15H2,1H3
InChIKeyFCJWZURYVKTHSR-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.07
Rot. Bonds4

About [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (PubChem CID 107954276) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
PubChem CID107954276
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(13)12(8)14/h2-6,10,17H,7,15H2,1H3
InChIKeyFCJWZURYVKTHSR-UHFFFAOYSA-N
XLogP2.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.07
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

[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
[2-(1-methylimidazol-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105262020
[2-(1-ethylimidazol-2-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105321923
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925
[1-(3-bromo-2-fluorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 106648787
[1-(2,4-difluoro-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322993
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (CID 107954276) is [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is Cn1ccnc1CC(NN)c1cccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is FCJWZURYVKTHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(13)12(8)14/h2-6,10,17H,7,15H2,1H3.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 313.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107954276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).