2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H15F3N4O — CID 63637023

IUPAC2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCc1nc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)8-18-12(21)7-20-10-4-2-1-3-9(10)19-11(20)5-6-17/h1-4H,5-8,17H2,(H,18,21)
InChIKeyZVTIQIYEWYSQIU-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63637023) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63637023
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCc1nc2ccccc2n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)8-18-12(21)7-20-10-4-2-1-3-9(10)19-11(20)5-6-17/h1-4H,5-8,17H2,(H,18,21)
InChIKeyZVTIQIYEWYSQIU-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
CID 63636509
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[(2-fluorophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097813
N-(3,3-dimethylbutyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110899560
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
4-methyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55785219
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63637023) is 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCc1nc2ccccc2n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZVTIQIYEWYSQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)8-18-12(21)7-20-10-4-2-1-3-9(10)19-11(20)5-6-17/h1-4H,5-8,17H2,(H,18,21).
What are the key properties of 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 300.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).