[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine

C11H13F3N4 — CID 115059537

IUPAC[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESCC(C)n1c(NN)nc2c(C(F)(F)F)cccc21
InChIInChI=1S/C11H13F3N4/c1-6(2)18-8-5-3-4-7(11(12,13)14)9(8)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyZDRVBXPXULSHNI-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.92
Rot. Bonds2

About [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine

[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine (PubChem CID 115059537) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
PubChem CID115059537
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESCC(C)n1c(NN)nc2c(C(F)(F)F)cccc21
InChIInChI=1S/C11H13F3N4/c1-6(2)18-8-5-3-4-7(11(12,13)14)9(8)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyZDRVBXPXULSHNI-UHFFFAOYSA-N
XLogP2.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.92
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

(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
CID 115059572
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
CID 115059690
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
CID 117120272
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
CID 117194709

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine (CID 115059537) is [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine.
What is the SMILES notation for [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The canonical SMILES for [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine is CC(C)n1c(NN)nc2c(C(F)(F)F)cccc21.
What is the InChIKey of [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The InChIKey is ZDRVBXPXULSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-6(2)18-8-5-3-4-7(11(12,13)14)9(8)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine has a molecular weight of 258.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine is sourced from PubChem (CID 115059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).