N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C26H24N4O3 — CID 31056792

IUPACN-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N4O3/c31-24(27-20-12-5-8-17-7-1-2-10-19(17)20)15-23-25(32)29(16-18-9-6-14-33-18)26-28-21-11-3-4-13-22(21)30(23)26/h1-5,7-8,10-13,18,23H,6,9,14-16H2,(H,27,31)/t18-,23+/m0/s1
InChIKeyDCFDFPVSRRPJKH-FDDCHVKYSA-N
MW440.50 g/mol
LogP4.28
Rot. Bonds5

About N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 31056792) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID31056792
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N4O3/c31-24(27-20-12-5-8-17-7-1-2-10-19(17)20)15-23-25(32)29(16-18-9-6-14-33-18)26-28-21-11-3-4-13-22(21)30(23)26/h1-5,7-8,10-13,18,23H,6,9,14-16H2,(H,27,31)/t18-,23+/m0/s1
InChIKeyDCFDFPVSRRPJKH-FDDCHVKYSA-N
XLogP4.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056728
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-fluorophenyl)-2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832462
N-naphthalen-1-yl-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 135915674
2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25252358
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-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 31056792) is N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is DCFDFPVSRRPJKH-FDDCHVKYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-24(27-20-12-5-8-17-7-1-2-10-19(17)20)15-23-25(32)29(16-18-9-6-14-33-18)26-28-21-11-3-4-13-22(21)30(23)26/h1-5,7-8,10-13,18,23H,6,9,14-16H2,(H,27,31)/t18-,23+/m0/s1.
What are the key properties of N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31056792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).