N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine

C8H5F3N3O2- — CID 163774905

IUPACN-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine
SMILES[O-]N(O)c1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H5F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3,15H,(H,12,13)/q-1
InChIKeyUKSFDNKXJPKRSZ-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.28
Rot. Bonds1

About N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine

N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine (PubChem CID 163774905) has the molecular formula C8H5F3N3O2- and a molecular weight of 232.14 g/mol. Its IUPAC name is N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine
PubChem CID163774905
Molecular FormulaC8H5F3N3O2-
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC NameN-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine
SMILES[O-]N(O)c1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H5F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3,15H,(H,12,13)/q-1
InChIKeyUKSFDNKXJPKRSZ-UHFFFAOYSA-N
XLogP2.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.28
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

[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydrazinylidene]propanedinitrile
CID 169341585
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
CID 142643857
N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline
CID 169384028
5-bromo-4-fluoro-2-(trifluoromethyl)-1H-benzimidazole
CID 122235439
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 64724359
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 60979315
2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
CID 168553191
N-(dibutyl-λ4-sulfanylidene)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 58422638
4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
CID 79660905
naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
CID 171929578
N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 54303424

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine?
The IUPAC name of N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine (CID 163774905) is N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine?
The canonical SMILES for N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine is [O-]N(O)c1cccc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine?
The InChIKey is UKSFDNKXJPKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3,15H,(H,12,13)/q-1.
What are the key properties of N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine?
N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine has a molecular weight of 232.14 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine is sourced from PubChem (CID 163774905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).