2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide

C18H16F3N3O2 — CID 53063129

IUPAC2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)17-23-14-8-4-5-9-15(14)24(17)11-10-22-16(25)12-26-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)
InChIKeyFAYGVLBWWXXBNP-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.25
Rot. Bonds6

About 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide

2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide (PubChem CID 53063129) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
PubChem CID53063129
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)17-23-14-8-4-5-9-15(14)24(17)11-10-22-16(25)12-26-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)
InChIKeyFAYGVLBWWXXBNP-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
CID 46287097
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
methyl 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16978586
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide (CID 53063129) is 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide is O=C(COc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide?
The InChIKey is FAYGVLBWWXXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)17-23-14-8-4-5-9-15(14)24(17)11-10-22-16(25)12-26-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25).
What are the key properties of 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide?
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 53063129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).