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

C20H20F3N3O2 — CID 37399077

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCOCc1ccccc1CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H20F3N3O2/c1-2-28-13-15-8-4-3-7-14(15)11-24-18(27)12-26-17-10-6-5-9-16(17)25-19(26)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27)
InChIKeyRIFMPXWVVDECOO-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.91
Rot. Bonds7

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

N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 37399077) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID37399077
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCOCc1ccccc1CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H20F3N3O2/c1-2-28-13-15-8-4-3-7-14(15)11-24-18(27)12-26-17-10-6-5-9-16(17)25-19(26)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27)
InChIKeyRIFMPXWVVDECOO-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 41282930
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37397619

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 37399077) is N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CCOCc1ccccc1CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is RIFMPXWVVDECOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-2-28-13-15-8-4-3-7-14(15)11-24-18(27)12-26-17-10-6-5-9-16(17)25-19(26)20(21,22)23/h3-10H,2,11-13H2,1H3,(H,24,27).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 37399077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).