[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine

C13H17F3N4 — CID 105215870

IUPAC[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCCn1c(CC(NN)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H17F3N4/c1-2-7-20-10-6-4-3-5-9(10)18-12(20)8-11(19-17)13(14,15)16/h3-6,11,19H,2,7-8,17H2,1H3
InChIKeyRCAKOOWNXYZORQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.38
Rot. Bonds5

About [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine

[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105215870) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
PubChem CID105215870
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
SMILESCCCn1c(CC(NN)C(F)(F)F)nc2ccccc21
InChIInChI=1S/C13H17F3N4/c1-2-7-20-10-6-4-3-5-9(10)18-12(20)8-11(19-17)13(14,15)16/h3-6,11,19H,2,7-8,17H2,1H3
InChIKeyRCAKOOWNXYZORQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.38
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

3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
[3-methoxy-1-(1-propylbenzimidazol-2-yl)pentan-2-yl]hydrazine
CID 105270881
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230658
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine (CID 105215870) is [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine is CCCn1c(CC(NN)C(F)(F)F)nc2ccccc21.
What is the InChIKey of [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is RCAKOOWNXYZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-2-7-20-10-6-4-3-5-9(10)18-12(20)8-11(19-17)13(14,15)16/h3-6,11,19H,2,7-8,17H2,1H3.
What are the key properties of [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine?
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 286.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105215870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).