N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide

C14H16N4O3 — CID 136677555

IUPACN-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCNC(=O)C[C@H]1C(=O)Nc2nc3ccccc3n21
InChIInChI=1S/C14H16N4O3/c1-21-7-6-15-12(19)8-11-13(20)17-14-16-9-4-2-3-5-10(9)18(11)14/h2-5,11H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyXAJHNFGMEDVONW-NSHDSACASA-N
MW288.31 g/mol
LogP0.68
Rot. Bonds5

About N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 136677555) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID136677555
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCNC(=O)C[C@H]1C(=O)Nc2nc3ccccc3n21
InChIInChI=1S/C14H16N4O3/c1-21-7-6-15-12(19)8-11-13(20)17-14-16-9-4-2-3-5-10(9)18(11)14/h2-5,11H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyXAJHNFGMEDVONW-NSHDSACASA-N
XLogP0.68
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 136677550
N-benzyl-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135629261
N-cyclopropyl-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 136677556
N-(2,5-dimethylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646852
N-(2,5-dimethylphenyl)-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135915662
N-(4-fluorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646825
N-naphthalen-1-yl-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135915674
N-(3-fluorophenyl)-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135924864
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646863
N-(2,5-dichlorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646857
ethyl 2-oxo-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135645281
ethyl (3R,4R)-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 136823867

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 136677555) is N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide is COCCNC(=O)C[C@H]1C(=O)Nc2nc3ccccc3n21.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is XAJHNFGMEDVONW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3/c1-21-7-6-15-12(19)8-11-13(20)17-14-16-9-4-2-3-5-10(9)18(11)14/h2-5,11H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t11-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1S)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 136677555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).