N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C21H21F3N4O2 — CID 11281523

IUPACN-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCn1c(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C21H21F3N4O2/c1-27-18-12-15(6-9-17(18)26-20(27)28-10-2-3-11-28)25-19(29)13-30-16-7-4-14(5-8-16)21(22,23)24/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,29)
InChIKeyBHTNQFXUFJJYNG-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.21
Rot. Bonds5

About N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11281523) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11281523
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCn1c(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C21H21F3N4O2/c1-27-18-12-15(6-9-17(18)26-20(27)28-10-2-3-11-28)25-19(29)13-30-16-7-4-14(5-8-16)21(22,23)24/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,29)
InChIKeyBHTNQFXUFJJYNG-UHFFFAOYSA-N
XLogP4.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952789
N-[2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-(2-piperazin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952876
N-[4-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11713436
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11705240
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 24816267
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11281523) is N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is Cn1c(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is BHTNQFXUFJJYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-27-18-12-15(6-9-17(18)26-20(27)28-10-2-3-11-28)25-19(29)13-30-16-7-4-14(5-8-16)21(22,23)24/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,29).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 418.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).