2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H24F3N5O3 — CID 25252358

IUPAC2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)16-5-1-2-6-17(16)28-21(33)15-20-22(34)31(10-9-30-11-13-35-14-12-30)23-29-18-7-3-4-8-19(18)32(20)23/h1-8,20H,9-15H2,(H,28,33)
InChIKeyRYLFCFZBQGCGBH-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.30
Rot. Bonds6

About 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 25252358) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID25252358
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)16-5-1-2-6-17(16)28-21(33)15-20-22(34)31(10-9-30-11-13-35-14-12-30)23-29-18-7-3-4-8-19(18)32(20)23/h1-8,20H,9-15H2,(H,28,33)
InChIKeyRYLFCFZBQGCGBH-UHFFFAOYSA-N
XLogP3.30
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 25252358) is 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CC1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RYLFCFZBQGCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c25-24(26,27)16-5-1-2-6-17(16)28-21(33)15-20-22(34)31(10-9-30-11-13-35-14-12-30)23-29-18-7-3-4-8-19(18)32(20)23/h1-8,20H,9-15H2,(H,28,33).
What are the key properties of 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 487.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25252358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).