2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide

C22H21FN4O2 — CID 31056825

IUPAC2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1
InChIInChI=1S/C22H21FN4O2/c23-14-6-5-7-15(12-14)24-20(28)13-19-21(29)26(16-8-1-2-9-16)22-25-17-10-3-4-11-18(17)27(19)22/h3-7,10-12,16,19H,1-2,8-9,13H2,(H,24,28)/t19-/m1/s1
InChIKeyKBYPQWIOLFRNKF-LJQANCHMSA-N
MW392.43 g/mol
LogP4.03
Rot. Bonds4

About 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide

2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 31056825) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID31056825
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1
InChIInChI=1S/C22H21FN4O2/c23-14-6-5-7-15(12-14)24-20(28)13-19-21(29)26(16-8-1-2-9-16)22-25-17-10-3-4-11-18(17)27(19)22/h3-7,10-12,16,19H,1-2,8-9,13H2,(H,24,28)/t19-/m1/s1
InChIKeyKBYPQWIOLFRNKF-LJQANCHMSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-methylphenyl)acetamide
CID 31056821
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-fluorophenyl)-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135924864
2-[(1R)-3-cyclopropyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 38094667
N-(1,3-benzodioxol-5-yl)-2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 124817561
N-(3-methylphenyl)-2-[2-oxo-3-(oxolan-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250506
N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056626
2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43819319
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056639
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide (CID 31056825) is 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide is O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1.
What is the InChIKey of 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is KBYPQWIOLFRNKF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-14-6-5-7-15(12-14)24-20(28)13-19-21(29)26(16-8-1-2-9-16)22-25-17-10-3-4-11-18(17)27(19)22/h3-7,10-12,16,19H,1-2,8-9,13H2,(H,24,28)/t19-/m1/s1.
What are the key properties of 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 31056825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).