[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine

C12H13F3N4 — CID 115059614

IUPAC[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESNNc1nc2ccc(C(F)(F)F)cc2n1C1CCC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)7-4-5-9-10(6-7)19(8-2-1-3-8)11(17-9)18-16/h4-6,8H,1-3,16H2,(H,17,18)
InChIKeyFJVAXPSCHRQIHW-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.07
Rot. Bonds2

About [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine

[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine (PubChem CID 115059614) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
PubChem CID115059614
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESNNc1nc2ccc(C(F)(F)F)cc2n1C1CCC1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)7-4-5-9-10(6-7)19(8-2-1-3-8)11(17-9)18-16/h4-6,8H,1-3,16H2,(H,17,18)
InChIKeyFJVAXPSCHRQIHW-UHFFFAOYSA-N
XLogP3.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.07
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'}

Analyze [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 118938264
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 134560811
cis-(1S,2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 170061696
3-cyclopentyl-2-hydrazinylbenzimidazol-5-ol
CID 115059646
(1-cyclopropyl-6-methylbenzimidazol-2-yl)hydrazine
CID 115059619
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759237

Frequently Asked Questions

What is the IUPAC name of [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The IUPAC name of [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine (CID 115059614) is [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine.
What is the SMILES notation for [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The canonical SMILES for [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine is NNc1nc2ccc(C(F)(F)F)cc2n1C1CCC1.
What is the InChIKey of [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The InChIKey is FJVAXPSCHRQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)7-4-5-9-10(6-7)19(8-2-1-3-8)11(17-9)18-16/h4-6,8H,1-3,16H2,(H,17,18).
What are the key properties of [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine has a molecular weight of 270.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine is sourced from PubChem (CID 115059614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).