2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine

C10H10F3N3O — CID 142643857

IUPAC2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
SMILESNCCOc1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-6-2-1-3-7(8(6)16-9)17-5-4-14/h1-3H,4-5,14H2,(H,15,16)
InChIKeyFURJYISWURUTIC-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.92
Rot. Bonds3

About 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine

2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine (PubChem CID 142643857) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
PubChem CID142643857
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
SMILESNCCOc1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-6-2-1-3-7(8(6)16-9)17-5-4-14/h1-3H,4-5,14H2,(H,15,16)
InChIKeyFURJYISWURUTIC-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
CID 58646073
[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
2-(4-methylsulfanylphenyl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 25193899
2-quinolin-8-yloxyethanamine
CID 17174906
[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
CID 170918592
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
4-[2-[4-(3-azido-2-nitrophenyl)piperazin-1-yl]ethoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 58646096
2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
CID 170911905
N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine
CID 163774905
N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 54303424
2-(5-nitrothiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 25193490
2-methyl-4-pentoxy-1H-benzimidazole
CID 90997135

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine?
The IUPAC name of 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine (CID 142643857) is 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine?
The canonical SMILES for 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine is NCCOc1cccc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine?
The InChIKey is FURJYISWURUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9-15-6-2-1-3-7(8(6)16-9)17-5-4-14/h1-3H,4-5,14H2,(H,15,16).
What are the key properties of 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine?
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine has a molecular weight of 245.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine is sourced from PubChem (CID 142643857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).