N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride

C20H22ClF3N4O — CID 120885487

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H21F3N4O.ClH/c21-20(22,23)19-25-16-8-4-5-9-17(16)27(19)14-18(28)26(13-11-24)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,24H2;1H
InChIKeyUOBLMNXSGADWTE-UHFFFAOYSA-N
MW426.87 g/mol
LogP3.51
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride (PubChem CID 120885487) has the molecular formula C20H22ClF3N4O and a molecular weight of 426.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
PubChem CID120885487
Molecular FormulaC20H22ClF3N4O
Molecular Weight426.87 g/mol
Exact Mass426.14
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H21F3N4O.ClH/c21-20(22,23)19-25-16-8-4-5-9-17(16)27(19)14-18(28)26(13-11-24)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,24H2;1H
InChIKeyUOBLMNXSGADWTE-UHFFFAOYSA-N
XLogP3.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 112787939
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
2-[2-(2-fluorophenyl)ethyl-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoyl]amino]acetic acid
CID 110165406
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride (CID 120885487) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The InChIKey is UOBLMNXSGADWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)19-25-16-8-4-5-9-17(16)27(19)14-18(28)26(13-11-24)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,24H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride has a molecular weight of 426.87 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).