1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole

C16H12ClF3N2O — CID 611619

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)23-10-9-22-14-4-2-1-3-13(14)21-15(22)16(18,19)20/h1-8H,9-10H2
InChIKeyMAPCXBSFCJXBRO-UHFFFAOYSA-N
MW340.73 g/mol
LogP4.79
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole

1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole (PubChem CID 611619) has the molecular formula C16H12ClF3N2O and a molecular weight of 340.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
PubChem CID611619
Molecular FormulaC16H12ClF3N2O
Molecular Weight340.73 g/mol
Exact Mass340.06
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)23-10-9-22-14-4-2-1-3-13(14)21-15(22)16(18,19)20/h1-8H,9-10H2
InChIKeyMAPCXBSFCJXBRO-UHFFFAOYSA-N
XLogP4.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]benzonitrile
CID 35503113
1-[2-[(6-chloro-1,2,4,5-tetrazin-3-yl)oxy]ethyl]-2-(trifluoromethyl)benzimidazole
CID 88992091
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
1-[3-(4-nitrophenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 55876053
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole (CID 611619) is 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is MAPCXBSFCJXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O/c17-11-5-7-12(8-6-11)23-10-9-22-14-4-2-1-3-13(14)21-15(22)16(18,19)20/h1-8H,9-10H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole?
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 340.73 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 611619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).