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

C12H14ClFN4 — CID 105322944

IUPAC[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(14)12(8)13/h2-6,10,17H,7,15H2,1H3
InChIKeyRMTMNGFLZGKUHQ-UHFFFAOYSA-N
MW268.72 g/mol
LogP1.96
Rot. Bonds4

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

[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105322944) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
PubChem CID105322944
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1CC(NN)c1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(14)12(8)13/h2-6,10,17H,7,15H2,1H3
InChIKeyRMTMNGFLZGKUHQ-UHFFFAOYSA-N
XLogP1.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 51.96
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-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011340
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
[1-(2,4-difluoro-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322993
[1-(2-ethoxyphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105260833
[1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324603
[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312731
[2-(1-methylimidazol-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105262020
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine (CID 105322944) is [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is Cn1ccnc1CC(NN)c1cccc(F)c1Cl.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is RMTMNGFLZGKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-18-6-5-16-11(18)7-10(17-15)8-3-2-4-9(14)12(8)13/h2-6,10,17H,7,15H2,1H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 268.72 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105322944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).