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

C21H18F3N5O3 — CID 55867730

About 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55867730) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 55867730
• Molecular Formula: C21H18F3N5O3
• Molecular Weight: 445.40 g/mol
• Exact Mass: 445.14
• IUPAC Name: 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• SMILES: COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C21H18F3N5O3/c1-11(12-6-7-15-16(8-12)27-20(31)26-15)25-19(30)18-17(32-2)10-29(28-18)14-5-3-4-13(9-14)21(22,23)24/h3-11H,1-2H3,(H,25,30)(H2,26,27,31)
• InChIKey: GFMJPEAYYVXISA-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 104.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55867730) is 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The InChIKey is GFMJPEAYYVXISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-11(12-6-7-15-16(8-12)27-20(31)26-15)25-19(30)18-17(32-2)10-29(28-18)14-5-3-4-13(9-14)21(22,23)24/h3-11H,1-2H3,(H,25,30)(H2,26,27,31).

What are the key properties of 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55867730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).