N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide

C10H9F3N4O — CID 19615374

IUPACN'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide
SMILESN/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\O
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)9-15-6-3-1-2-4-7(6)17(9)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)
InChIKeyIBOOUXJDZHEPAM-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.80
Rot. Bonds2

About N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide

N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide (PubChem CID 19615374) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide
PubChem CID19615374
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC NameN'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide
SMILESN/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\O
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)9-15-6-3-1-2-4-7(6)17(9)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16)
InChIKeyIBOOUXJDZHEPAM-UHFFFAOYSA-N
XLogP1.80
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[1-amino-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethylidene]amino] 2-fluorobenzoate
CID 51525250
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
N'-hydroxy-2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanimidamide
CID 115518307
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
CID 124984378
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide (CID 19615374) is N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide is N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\O.
What is the InChIKey of N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide?
The InChIKey is IBOOUXJDZHEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)9-15-6-3-1-2-4-7(6)17(9)5-8(14)16-18/h1-4,18H,5H2,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide?
N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide has a molecular weight of 258.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide is sourced from PubChem (CID 19615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).