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

C21H17F3N4O2 — CID 38094667

IUPAC2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)13-5-1-2-6-14(13)25-18(29)11-17-19(30)27(12-9-10-12)20-26-15-7-3-4-8-16(15)28(17)20/h1-8,12,17H,9-11H2,(H,25,29)/t17-/m1/s1
InChIKeyUSASSEANDCNFJU-QGZVFWFLSA-N
MW414.39 g/mol
LogP4.13
Rot. Bonds4

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

2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 38094667) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID38094667
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)13-5-1-2-6-14(13)25-18(29)11-17-19(30)27(12-9-10-12)20-26-15-7-3-4-8-16(15)28(17)20/h1-8,12,17H,9-11H2,(H,25,29)/t17-/m1/s1
InChIKeyUSASSEANDCNFJU-QGZVFWFLSA-N
XLogP4.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25252358
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 31056825
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-methylphenyl)acetamide
CID 31056821
N-(2-fluorophenyl)-2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832462
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
N-(2-fluorophenyl)-2-[(1S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056593
N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630866
N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630904
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094621
N-(2-ethoxyphenyl)-2-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250545
2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 124813935

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 38094667) is 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is USASSEANDCNFJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)13-5-1-2-6-14(13)25-18(29)11-17-19(30)27(12-9-10-12)20-26-15-7-3-4-8-16(15)28(17)20/h1-8,12,17H,9-11H2,(H,25,29)/t17-/m1/s1.
What are the key properties of 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 38094667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).