N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C23H18N6O4 — CID 31088164

IUPACN-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N6O4/c30-21(25-16-6-3-7-17(11-16)29(32)33)12-20-22(31)27(14-15-5-4-10-24-13-15)23-26-18-8-1-2-9-19(18)28(20)23/h1-11,13,20H,12,14H2,(H,25,30)/t20-/m1/s1
InChIKeyAPVFFQONCZVKSM-HXUWFJFHSA-N
MW442.44 g/mol
LogP3.46
Rot. Bonds6

About N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 31088164) has the molecular formula C23H18N6O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID31088164
Molecular FormulaC23H18N6O4
Molecular Weight442.44 g/mol
Exact Mass442.14
IUPAC NameN-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N6O4/c30-21(25-16-6-3-7-17(11-16)29(32)33)12-20-22(31)27(14-15-5-4-10-24-13-15)23-26-18-8-1-2-9-19(18)28(20)23/h1-11,13,20H,12,14H2,(H,25,30)/t20-/m1/s1
InChIKeyAPVFFQONCZVKSM-HXUWFJFHSA-N
XLogP3.46
TPSA123.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056960
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
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-(3,4-dimethylphenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056906
N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056626
N-(3-fluorophenyl)-2-[(1R)-3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094645
N-(2-fluorophenyl)-2-[(1S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056593
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
N-(3-methylphenyl)-2-[2-oxo-3-(oxolan-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250506
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056639
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 29264604

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 31088164) is N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is APVFFQONCZVKSM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18N6O4/c30-21(25-16-6-3-7-17(11-16)29(32)33)12-20-22(31)27(14-15-5-4-10-24-13-15)23-26-18-8-1-2-9-19(18)28(20)23/h1-11,13,20H,12,14H2,(H,25,30)/t20-/m1/s1.
What are the key properties of N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 442.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31088164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).