[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

C24H21N3O3 — CID 23887568

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C24H21N3O3/c1-15-11-12-19(16(2)13-15)25-22(28)14-30-24(29)18-8-4-3-7-17(18)23-26-20-9-5-6-10-21(20)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyADWBIOFUMUOUAZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.64
Rot. Bonds5

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (PubChem CID 23887568) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
PubChem CID23887568
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C24H21N3O3/c1-15-11-12-19(16(2)13-15)25-22(28)14-30-24(29)18-8-4-3-7-17(18)23-26-20-9-5-6-10-21(20)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyADWBIOFUMUOUAZ-UHFFFAOYSA-N
XLogP4.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786611
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23859888
[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 25045429
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8984093
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23831631
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 8714374
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149349

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (CID 23887568) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The InChIKey is ADWBIOFUMUOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-11-12-19(16(2)13-15)25-22(28)14-30-24(29)18-8-4-3-7-17(18)23-26-20-9-5-6-10-21(20)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 399.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 23887568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).