2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C24H20F3N3O2 — CID 35805286

IUPAC2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)18-8-6-7-17(13-18)14-28-23(31)15-30-21-12-5-4-11-20(21)29-22(30)16-32-19-9-2-1-3-10-19/h1-13H,14-16H2,(H,28,31)
InChIKeyBODVKQPOHQIFLO-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.95
Rot. Bonds7

About 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 35805286) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID35805286
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)18-8-6-7-17(13-18)14-28-23(31)15-30-21-12-5-4-11-20(21)29-22(30)16-32-19-9-2-1-3-10-19/h1-13H,14-16H2,(H,28,31)
InChIKeyBODVKQPOHQIFLO-UHFFFAOYSA-N
XLogP4.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24622698
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 35805286) is 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is BODVKQPOHQIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)18-8-6-7-17(13-18)14-28-23(31)15-30-21-12-5-4-11-20(21)29-22(30)16-32-19-9-2-1-3-10-19/h1-13H,14-16H2,(H,28,31).
What are the key properties of 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 439.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 35805286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).