[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

C12H15F3N4 — CID 105313825

IUPAC[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESNNC(CCC(F)(F)F)Cn1cnc2ccccc21
InChIInChI=1S/C12H15F3N4/c13-12(14,15)6-5-9(18-16)7-19-8-17-10-3-1-2-4-11(10)19/h1-4,8-9,18H,5-7,16H2
InChIKeyDTUFVBQGUCRWCW-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.21
Rot. Bonds5

About [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (PubChem CID 105313825) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
PubChem CID105313825
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESNNC(CCC(F)(F)F)Cn1cnc2ccccc21
InChIInChI=1S/C12H15F3N4/c13-12(14,15)6-5-9(18-16)7-19-8-17-10-3-1-2-4-11(10)19/h1-4,8-9,18H,5-7,16H2
InChIKeyDTUFVBQGUCRWCW-UHFFFAOYSA-N
XLogP2.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.21
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

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[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The IUPAC name of [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (CID 105313825) is [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.
What is the SMILES notation for [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The canonical SMILES for [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is NNC(CCC(F)(F)F)Cn1cnc2ccccc21.
What is the InChIKey of [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The InChIKey is DTUFVBQGUCRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)6-5-9(18-16)7-19-8-17-10-3-1-2-4-11(10)19/h1-4,8-9,18H,5-7,16H2.
What are the key properties of [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine has a molecular weight of 272.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is sourced from PubChem (CID 105313825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).