[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine

C15H20ClFN4 — CID 105216048

IUPAC[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCCn1ccnc1CC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C15H20ClFN4/c1-2-7-21-8-6-19-15(21)10-11(20-18)9-12-13(16)4-3-5-14(12)17/h3-6,8,11,20H,2,7,9-10,18H2,1H3
InChIKeyXJZRELLHEWPVPC-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.70
Rot. Bonds7

About [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine

[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105216048) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105216048
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCCn1ccnc1CC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C15H20ClFN4/c1-2-7-21-8-6-19-15(21)10-11(20-18)9-12-13(16)4-3-5-14(12)17/h3-6,8,11,20H,2,7,9-10,18H2,1H3
InChIKeyXJZRELLHEWPVPC-UHFFFAOYSA-N
XLogP2.70
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.70
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-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
[1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105323452
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
[1-(4-chloro-2,5-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323392
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine (CID 105216048) is [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine is CCCn1ccnc1CC(Cc1c(F)cccc1Cl)NN.
What is the InChIKey of [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is XJZRELLHEWPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN4/c1-2-7-21-8-6-19-15(21)10-11(20-18)9-12-13(16)4-3-5-14(12)17/h3-6,8,11,20H,2,7,9-10,18H2,1H3.
What are the key properties of [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine?
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 310.80 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).