2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide

C20H21F3N4O2 — CID 55829867

IUPAC2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccc(C(C)N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H21F3N4O2/c1-12(13-4-7-15(29-3)8-5-13)27(2)11-18(28)24-14-6-9-16-17(10-14)26-19(25-16)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyWMDIPBQCQHLCQE-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.22
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide

2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 55829867) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID55829867
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccc(C(C)N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H21F3N4O2/c1-12(13-4-7-15(29-3)8-5-13)27(2)11-18(28)24-14-6-9-16-17(10-14)26-19(25-16)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyWMDIPBQCQHLCQE-UHFFFAOYSA-N
XLogP4.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 55832516
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-(3-acetamidophenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 86924606
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55731133
N-(3,4-dimethoxyphenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78901140
2-[3-(methylamino)piperidin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 119920132
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 39951309
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-methyl-3-[methyl-[[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]carbamoyl]amino]propanoic acid
CID 122088600
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide (CID 55829867) is 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide is COc1ccc(C(C)N(C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is WMDIPBQCQHLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-12(13-4-7-15(29-3)8-5-13)27(2)11-18(28)24-14-6-9-16-17(10-14)26-19(25-16)20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide?
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 406.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 55829867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).