5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H19F3N4O3 — CID 55736732

About 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55736732) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 55736732
• Molecular Formula: C21H19F3N4O3
• Molecular Weight: 432.40 g/mol
• Exact Mass: 432.14
• IUPAC Name: 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
• SMILES: CC(NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C21H19F3N4O3/c1-11(12-5-6-16-17(7-12)27-20(31)26-16)25-19(30)13-8-18(29)28(10-13)15-4-2-3-14(9-15)21(22,23)24/h2-7,9,11,13H,8,10H2,1H3,(H,25,30)(H2,26,27,31)
• InChIKey: DPHHYRQNLKAMIR-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 98.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55736732) is 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

The InChIKey is DPHHYRQNLKAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-11(12-5-6-16-17(7-12)27-20(31)26-16)25-19(30)13-8-18(29)28(10-13)15-4-2-3-14(9-15)21(22,23)24/h2-7,9,11,13H,8,10H2,1H3,(H,25,30)(H2,26,27,31).

What are the key properties of 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?

5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55736732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).