3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide

C15H17F3N4O2 — CID 9417778

IUPAC3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
SMILESCC(C)CC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C15H17F3N4O2/c1-9(2)7-12(23)20-21-13(24)8-22-11-6-4-3-5-10(11)19-14(22)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCRTBYKYQQRNZBR-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide

3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide (PubChem CID 9417778) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
PubChem CID9417778
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
SMILESCC(C)CC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C15H17F3N4O2/c1-9(2)7-12(23)20-21-13(24)8-22-11-6-4-3-5-10(11)19-14(22)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCRTBYKYQQRNZBR-UHFFFAOYSA-N
XLogP2.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.25
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

N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
(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-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 27568841
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
(E)-3-(3-methylthiophen-2-yl)-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]prop-2-enehydrazide
CID 9417771
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37399077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide?
The IUPAC name of 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide (CID 9417778) is 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide.
What is the SMILES notation for 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide?
The canonical SMILES for 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide is CC(C)CC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide?
The InChIKey is CRTBYKYQQRNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9(2)7-12(23)20-21-13(24)8-22-11-6-4-3-5-10(11)19-14(22)15(16,17)18/h3-6,9H,7-8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide?
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide has a molecular weight of 342.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide is sourced from PubChem (CID 9417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).