[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

C24H20N4O4 — CID 23802651

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)25-18-8-10-19(11-9-18)26-22(30)14-32-24(31)17-7-12-20-21(13-17)28-23(27-20)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyYKEGMGDIYCRUCU-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.98
Rot. Bonds6

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (PubChem CID 23802651) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
PubChem CID23802651
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)25-18-8-10-19(11-9-18)26-22(30)14-32-24(31)17-7-12-20-21(13-17)28-23(27-20)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyYKEGMGDIYCRUCU-UHFFFAOYSA-N
XLogP3.98
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915586
[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 25043323
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23831376
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943546
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943644
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23887674
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802588
[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 25049245
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915819

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate (CID 23802651) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
The InChIKey is YKEGMGDIYCRUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(29)25-18-8-10-19(11-9-18)26-22(30)14-32-24(31)17-7-12-20-21(13-17)28-23(27-20)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 23802651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).