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

C13H16BrFN4 — CID 105340312

IUPAC[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1cccc(F)c1Br
InChIInChI=1S/C13H16BrFN4/c1-19-8-7-17-12(19)6-5-11(18-16)9-3-2-4-10(15)13(9)14/h2-4,7-8,11,18H,5-6,16H2,1H3
InChIKeyGVTIOHLHWFUKPC-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.46
Rot. Bonds5

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

[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (PubChem CID 105340312) has the molecular formula C13H16BrFN4 and a molecular weight of 327.20 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
PubChem CID105340312
Molecular FormulaC13H16BrFN4
Molecular Weight327.20 g/mol
Exact Mass326.05
IUPAC Name[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1cccc(F)c1Br
InChIInChI=1S/C13H16BrFN4/c1-19-8-7-17-12(19)6-5-11(18-16)9-3-2-4-10(15)13(9)14/h2-4,7-8,11,18H,5-6,16H2,1H3
InChIKeyGVTIOHLHWFUKPC-UHFFFAOYSA-N
XLogP2.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.46
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-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
[1-(2-fluoro-6-methoxyphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105252516
[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 114025677
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107985466
[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
4-[1-hydrazinyl-3-(1-methylimidazol-2-yl)propyl]-1-methylpyrazol-5-amine
CID 105230895
[1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105269123

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine (CID 105340312) is [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1cccc(F)c1Br.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
The InChIKey is GVTIOHLHWFUKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4/c1-19-8-7-17-12(19)6-5-11(18-16)9-3-2-4-10(15)13(9)14/h2-4,7-8,11,18H,5-6,16H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine has a molecular weight of 327.20 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).