N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide

C14H15F3N4O — CID 7043891

IUPACN'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
SMILESC=C(CC)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C14H15F3N4O/c1-3-9(2)19-20-12(22)8-21-11-7-5-4-6-10(11)18-13(21)14(15,16)17/h4-7,19H,2-3,8H2,1H3,(H,20,22)
InChIKeyXEHFYAPTGXYTKH-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.60
Rot. Bonds5

About N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide

N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide (PubChem CID 7043891) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
PubChem CID7043891
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
SMILESC=C(CC)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C14H15F3N4O/c1-3-9(2)19-20-12(22)8-21-11-7-5-4-6-10(11)18-13(21)14(15,16)17/h4-7,19H,2-3,8H2,1H3,(H,20,22)
InChIKeyXEHFYAPTGXYTKH-UHFFFAOYSA-N
XLogP2.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 27568841
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37399077
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 112787939
(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4027824

Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide?
The IUPAC name of N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide (CID 7043891) is N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide?
The canonical SMILES for N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide is C=C(CC)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide?
The InChIKey is XEHFYAPTGXYTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-3-9(2)19-20-12(22)8-21-11-7-5-4-6-10(11)18-13(21)14(15,16)17/h4-7,19H,2-3,8H2,1H3,(H,20,22).
What are the key properties of N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide?
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide has a molecular weight of 312.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide is sourced from PubChem (CID 7043891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).