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

C16H18F3N3O — CID 112787939

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C16H18F3N3O/c1-4-21(9-11(2)3)14(23)10-22-13-8-6-5-7-12(13)20-15(22)16(17,18)19/h5-8H,2,4,9-10H2,1,3H3
InChIKeyTWZQJCHNUBHHSP-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.48
Rot. Bonds5

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

N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 112787939) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID112787939
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C16H18F3N3O/c1-4-21(9-11(2)3)14(23)10-22-13-8-6-5-7-12(13)20-15(22)16(17,18)19/h5-8H,2,4,9-10H2,1,3H3
InChIKeyTWZQJCHNUBHHSP-UHFFFAOYSA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
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-ethyl-2-[2-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-phenylacetamide
CID 19242222
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
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
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 112787939) is N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is C=C(C)CN(CC)C(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is TWZQJCHNUBHHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-4-21(9-11(2)3)14(23)10-22-13-8-6-5-7-12(13)20-15(22)16(17,18)19/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 325.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112787939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).