[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine

C14H17ClF2N4 — CID 105323392

IUPAC[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
SMILESCCCn1ccnc1CC(NN)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H17ClF2N4/c1-2-4-21-5-3-19-14(21)8-13(20-18)9-6-12(17)10(15)7-11(9)16/h3,5-7,13,20H,2,4,8,18H2,1H3
InChIKeyUUUIYOXZYCWOTF-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.97
Rot. Bonds6

About [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine

[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105323392) has the molecular formula C14H17ClF2N4 and a molecular weight of 314.77 g/mol. Its IUPAC name is [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
PubChem CID105323392
Molecular FormulaC14H17ClF2N4
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
SMILESCCCn1ccnc1CC(NN)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H17ClF2N4/c1-2-4-21-5-3-19-14(21)8-13(20-18)9-6-12(17)10(15)7-11(9)16/h3,5-7,13,20H,2,4,8,18H2,1H3
InChIKeyUUUIYOXZYCWOTF-UHFFFAOYSA-N
XLogP2.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.97
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

[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
[1-(3,6-dimethylpyridazin-4-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323436
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
[1-(2-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323366
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
[1-(2-bromo-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323345
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 79734748
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
[1-(5-bromo-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105280778
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine (CID 105323392) is [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine is CCCn1ccnc1CC(NN)c1cc(F)c(Cl)cc1F.
What is the InChIKey of [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is UUUIYOXZYCWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4/c1-2-4-21-5-3-19-14(21)8-13(20-18)9-6-12(17)10(15)7-11(9)16/h3,5-7,13,20H,2,4,8,18H2,1H3.
What are the key properties of [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 314.77 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105323392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).