1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

C20H20F3N3O2 — CID 66760752

IUPAC1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C20H20F3N3O2/c1-2-4-13-9-18(27)25(11-13)12-26-16-7-6-14(20(21,22)23)10-15(16)24-19(26)17-5-3-8-28-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3
InChIKeyLBTYIARANZCFLB-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.92
Rot. Bonds5

About 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one

1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 66760752) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID66760752
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C20H20F3N3O2/c1-2-4-13-9-18(27)25(11-13)12-26-16-7-6-14(20(21,22)23)10-15(16)24-19(26)17-5-3-8-28-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3
InChIKeyLBTYIARANZCFLB-UHFFFAOYSA-N
XLogP4.92
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one (CID 66760752) is 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1.
What is the InChIKey of 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is LBTYIARANZCFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-2-4-13-9-18(27)25(11-13)12-26-16-7-6-14(20(21,22)23)10-15(16)24-19(26)17-5-3-8-28-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3.
What are the key properties of 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 391.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 66760752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).