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

C22H21F3N4O2 — CID 43819319

IUPAC2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)n2c1nc1ccccc12
InChIInChI=1S/C22H21F3N4O2/c1-2-3-11-28-20(31)18(29-17-10-5-4-9-16(17)27-21(28)29)13-19(30)26-15-8-6-7-14(12-15)22(23,24)25/h4-10,12,18H,2-3,11,13H2,1H3,(H,26,30)
InChIKeyLGWPNKLLLOBKAL-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.77
Rot. Bonds6

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

2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 43819319) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID43819319
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)n2c1nc1ccccc12
InChIInChI=1S/C22H21F3N4O2/c1-2-3-11-28-20(31)18(29-17-10-5-4-9-16(17)27-21(28)29)13-19(30)26-15-8-6-7-14(12-15)22(23,24)25/h4-10,12,18H,2-3,11,13H2,1H3,(H,26,30)
InChIKeyLGWPNKLLLOBKAL-UHFFFAOYSA-N
XLogP4.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(1R)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29133916
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 29264604
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585
N-(3-fluorophenyl)-2-[(1R)-3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094645
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 39819617
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
N-(3-methylphenyl)-2-[2-oxo-3-(oxolan-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250506
N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250303
N-(2,3-dichlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250493

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 43819319) is 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CCCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)n2c1nc1ccccc12.
What is the InChIKey of 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LGWPNKLLLOBKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-2-3-11-28-20(31)18(29-17-10-5-4-9-16(17)27-21(28)29)13-19(30)26-15-8-6-7-14(12-15)22(23,24)25/h4-10,12,18H,2-3,11,13H2,1H3,(H,26,30).
What are the key properties of 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43819319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).