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

C11H13F3N4 — CID 115059612

IUPAC[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESCC(C)n1c(NN)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-6(2)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyCASLYBSIHBCGNS-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.92
Rot. Bonds2

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

[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine (PubChem CID 115059612) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
PubChem CID115059612
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
SMILESCC(C)n1c(NN)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H13F3N4/c1-6(2)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyCASLYBSIHBCGNS-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

6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
CID 132599814
[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059614
[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059537
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 134560811
5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
CID 134297226
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
3-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82791370

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The IUPAC name of [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine (CID 115059612) is [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine.
What is the SMILES notation for [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The canonical SMILES for [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine is CC(C)n1c(NN)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
The InChIKey is CASLYBSIHBCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-6(2)18-9-5-7(11(12,13)14)3-4-8(9)16-10(18)17-15/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of [1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine?
[1-propan-2-yl-6-(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-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine is sourced from PubChem (CID 115059612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).