[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine

C12H13BrF2N4 — CID 106271490

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
SMILESCn1cnc(C(Cc2c(F)ccc(Br)c2F)NN)c1
InChIInChI=1S/C12H13BrF2N4/c1-19-5-11(17-6-19)10(18-16)4-7-9(14)3-2-8(13)12(7)15/h2-3,5-6,10,18H,4,16H2,1H3
InChIKeyIZGWTEVXHCUZOA-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.21
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine (PubChem CID 106271490) has the molecular formula C12H13BrF2N4 and a molecular weight of 331.16 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
PubChem CID106271490
Molecular FormulaC12H13BrF2N4
Molecular Weight331.16 g/mol
Exact Mass330.03
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
SMILESCn1cnc(C(Cc2c(F)ccc(Br)c2F)NN)c1
InChIInChI=1S/C12H13BrF2N4/c1-19-5-11(17-6-19)10(18-16)4-7-9(14)3-2-8(13)12(7)15/h2-3,5-6,10,18H,4,16H2,1H3
InChIKeyIZGWTEVXHCUZOA-UHFFFAOYSA-N
XLogP2.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978022
[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 106271521
[2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 106271871
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine (CID 106271490) is [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine is Cn1cnc(C(Cc2c(F)ccc(Br)c2F)NN)c1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine?
The InChIKey is IZGWTEVXHCUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4/c1-19-5-11(17-6-19)10(18-16)4-7-9(14)3-2-8(13)12(7)15/h2-3,5-6,10,18H,4,16H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine has a molecular weight of 331.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 106271490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).