N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C14H16F3N3O — CID 977171

IUPACN,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C14H16F3N3O/c1-3-19(4-2)12(21)9-20-11-8-6-5-7-10(11)18-13(20)14(15,16)17/h5-8H,3-4,9H2,1-2H3
InChIKeyZETIYUWKWRMRCV-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.92
Rot. Bonds4

About N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 977171) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID977171
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C14H16F3N3O/c1-3-19(4-2)12(21)9-20-11-8-6-5-7-10(11)18-13(20)14(15,16)17/h5-8H,3-4,9H2,1-2H3
InChIKeyZETIYUWKWRMRCV-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 112787939
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120885487
N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55572138
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-ethyl-2-[2-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-phenylacetamide
CID 19242222
N-[[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969582
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 40669784
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37399077
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 977171) is N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is CCN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is ZETIYUWKWRMRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-19(4-2)12(21)9-20-11-8-6-5-7-10(11)18-13(20)14(15,16)17/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 299.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 977171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).