4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one

C20H19F3N4O2 — CID 123928003

IUPAC4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cccc(C(F)(F)F)n2)cc2ncn(C)c12)C1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)24-9-13)29-16-7-12(6-15-19(16)27(2)10-25-15)14-4-3-5-17(26-14)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,28)
InChIKeyRSUNSFBHWJGKHC-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.56
Rot. Bonds4

About 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123928003) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123928003
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cccc(C(F)(F)F)n2)cc2ncn(C)c12)C1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)24-9-13)29-16-7-12(6-15-19(16)27(2)10-25-15)14-4-3-5-17(26-14)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,28)
InChIKeyRSUNSFBHWJGKHC-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk484
CID 86340175
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702847
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702852
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702937
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122702951
2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-7-methoxy-1-[[(2S)-4-methylmorpholin-2-yl]methyl]benzimidazole-5-carboxamide
CID 137549996
c-Myc inhibitor 10
CID 137550086
4-fluoro-7-methoxy-1-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]benzimidazole-5-carboxamide
CID 137551179
2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-4-fluoro-7-methoxy-N-methyl-1-[[(2S)-4-methylmorpholin-2-yl]methyl]benzimidazole-5-carboxamide
CID 138466108
2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-4-fluoro-7-methoxy-1-[[(2S)-4-methylmorpholin-2-yl]methyl]benzimidazole-5-carboxamide
CID 142541487

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one (CID 123928003) is 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2cccc(C(F)(F)F)n2)cc2ncn(C)c12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is RSUNSFBHWJGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)24-9-13)29-16-7-12(6-15-19(16)27(2)10-25-15)14-4-3-5-17(26-14)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,28).
What are the key properties of 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 404.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123928003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).