N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C27H26N4O3 — CID 43854164

IUPACN-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)C(CC(=O)NCc3ccccc3)n3c2nc2ccccc23)cc1
InChIInChI=1S/C27H26N4O3/c1-34-21-13-11-19(12-14-21)15-16-30-26(33)24(17-25(32)28-18-20-7-3-2-4-8-20)31-23-10-6-5-9-22(23)29-27(30)31/h2-14,24H,15-18H2,1H3,(H,28,32)
InChIKeySOUVNGGXOACPQA-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.88
Rot. Bonds8

About N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 43854164) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID43854164
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)C(CC(=O)NCc3ccccc3)n3c2nc2ccccc23)cc1
InChIInChI=1S/C27H26N4O3/c1-34-21-13-11-19(12-14-21)15-16-30-26(33)24(17-25(32)28-18-20-7-3-2-4-8-20)31-23-10-6-5-9-22(23)29-27(30)31/h2-14,24H,15-18H2,1H3,(H,28,32)
InChIKeySOUVNGGXOACPQA-UHFFFAOYSA-N
XLogP3.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 39819617
N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854328
2-[(1S,4R)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 92667085
N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832365
N-(4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832437
ethyl (3S,4R)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 40920822
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
2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 43854329
N-(4-acetamidophenyl)-2-[(1R)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 94859705
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
N-benzyl-2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]acetamide
CID 92695446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 43854164) is N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is COc1ccc(CCN2C(=O)C(CC(=O)NCc3ccccc3)n3c2nc2ccccc23)cc1.
What is the InChIKey of N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is SOUVNGGXOACPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-34-21-13-11-19(12-14-21)15-16-30-26(33)24(17-25(32)28-18-20-7-3-2-4-8-20)31-23-10-6-5-9-22(23)29-27(30)31/h2-14,24H,15-18H2,1H3,(H,28,32).
What are the key properties of N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 43854164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).