2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide

C23H26N4O2 — CID 29264604

IUPAC2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)n2c1nc1ccccc12
InChIInChI=1S/C23H26N4O2/c1-3-5-14-26-22(29)20(27-19-9-7-6-8-18(19)25-23(26)27)15-21(28)24-17-12-10-16(4-2)11-13-17/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyFTJNKEAXAXYOEK-FQEVSTJZSA-N
MW390.49 g/mol
LogP4.32
Rot. Bonds7

About 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide

2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 29264604) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID29264604
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCCCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)n2c1nc1ccccc12
InChIInChI=1S/C23H26N4O2/c1-3-5-14-26-22(29)20(27-19-9-7-6-8-18(19)25-23(26)27)15-21(28)24-17-12-10-16(4-2)11-13-17/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyFTJNKEAXAXYOEK-FQEVSTJZSA-N
XLogP4.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.32
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
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
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-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25252347
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
N-(4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832437
N-(4-ethylphenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29264581
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
N-(1,3-benzodioxol-5-yl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630800
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide (CID 29264604) is 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide is CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)n2c1nc1ccccc12.
What is the InChIKey of 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is FTJNKEAXAXYOEK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-5-14-26-22(29)20(27-19-9-7-6-8-18(19)25-23(26)27)15-21(28)24-17-12-10-16(4-2)11-13-17/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide?
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 29264604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).