1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one

C60H60F9N9O5S — CID 135374230

IUPAC1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3cccs3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3ccoc3)nc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/2C20H20F3N3O2.C20H20F3N3OS/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;1-2-3-13-8-18(27)25(10-13)12-26-17-5-4-15(20(21,22)23)9-16(17)24-19(26)14-6-7-28-11-14;1-2-4-13-9-18(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;4-7,9,11,13H,2-3,8,10,12H2,1H3;3,5-8,10,13H,2,4,9,11-12H2,1H3
InChIKeyDOGLOEUBFOXURB-UHFFFAOYSA-N
MW1190.25 g/mol
LogP15.23
Rot. Bonds15

About 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one

1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 135374230) has the molecular formula C60H60F9N9O5S and a molecular weight of 1190.25 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID135374230
Molecular FormulaC60H60F9N9O5S
Molecular Weight1190.25 g/mol
Exact Mass1189.43
IUPAC Name1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3cccs3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3ccoc3)nc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/2C20H20F3N3O2.C20H20F3N3OS/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;1-2-3-13-8-18(27)25(10-13)12-26-17-5-4-15(20(21,22)23)9-16(17)24-19(26)14-6-7-28-11-14;1-2-4-13-9-18(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;4-7,9,11,13H,2-3,8,10,12H2,1H3;3,5-8,10,13H,2,4,9,11-12H2,1H3
InChIKeyDOGLOEUBFOXURB-UHFFFAOYSA-N
XLogP15.23
TPSA140.67 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.25
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one with MolForge

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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;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one (CID 135374230) is 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one is CCCC1CC(=O)N(Cn2c(-c3ccco3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3cccs3)nc3cc(C(F)(F)F)ccc32)C1.CCCC1CC(=O)N(Cn2c(-c3ccoc3)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;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is DOGLOEUBFOXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20F3N3O2.C20H20F3N3OS/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;1-2-3-13-8-18(27)25(10-13)12-26-17-5-4-15(20(21,22)23)9-16(17)24-19(26)14-6-7-28-11-14;1-2-4-13-9-18(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;4-7,9,11,13H,2-3,8,10,12H2,1H3;3,5-8,10,13H,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-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
1-[[2-(furan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 1190.25 g/mol, XLogP of 15.23, 15 rotatable bonds, 0 hydrogen bond donors, and 12 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;1-[[2-(furan-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one;4-propyl-1-[[2-thiophen-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 135374230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).