[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate

C20H18N2O5 — CID 9111267

IUPAC[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H18N2O5/c1-12-2-4-13(5-3-12)17(23)8-9-19(25)27-11-18(24)14-6-7-15-16(10-14)22-20(26)21-15/h2-7,10H,8-9,11H2,1H3,(H2,21,22,26)
InChIKeyGWGCLLRLLXIRQY-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.55
Rot. Bonds7

About [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate

[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 9111267) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate
PubChem CID9111267
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H18N2O5/c1-12-2-4-13(5-3-12)17(23)8-9-19(25)27-11-18(24)14-6-7-15-16(10-14)22-20(26)21-15/h2-7,10H,8-9,11H2,1H3,(H2,21,22,26)
InChIKeyGWGCLLRLLXIRQY-UHFFFAOYSA-N
XLogP2.55
TPSA109.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 9101476
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 9115117
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55306076
ethyl 7-(4-methylphenyl)-7-oxoheptanoate
CID 24727327
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23762287
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 24653007
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 18285817
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540
[2-(4-bromophenyl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7790856

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate (CID 9111267) is [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is GWGCLLRLLXIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-2-4-13(5-3-12)17(23)8-9-19(25)27-11-18(24)14-6-7-15-16(10-14)22-20(26)21-15/h2-7,10H,8-9,11H2,1H3,(H2,21,22,26).
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 366.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] 4-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 9111267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).