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

C20H19F3N4O2 — CID 11153928

IUPACN-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)[nH]c2c1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)13-3-6-15(7-4-13)29-12-18(28)24-14-5-8-16-17(11-14)26-19(25-16)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,24,28)(H,25,26)
InChIKeyUWZAIHJEZDRIJB-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11153928) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11153928
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)[nH]c2c1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)13-3-6-15(7-4-13)29-12-18(28)24-14-5-8-16-17(11-14)26-19(25-16)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,24,28)(H,25,26)
InChIKeyUWZAIHJEZDRIJB-UHFFFAOYSA-N
XLogP4.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11153928) is N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)[nH]c2c1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UWZAIHJEZDRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)13-3-6-15(7-4-13)29-12-18(28)24-14-5-8-16-17(11-14)26-19(25-16)27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,24,28)(H,25,26).
What are the key properties of N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 404.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-3H-benzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11153928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).