[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

C22H24N2O4 — CID 46645811

IUPAC[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCC(=O)c2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-4-11-23-18-7-5-6-8-19(18)24(22(23)27)13-21(26)28-14-20(25)17-10-9-15(2)16(3)12-17/h5-10,12H,4,11,13-14H2,1-3H3
InChIKeyUKTXKWHPGKBFGK-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.26
Rot. Bonds7

About [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (PubChem CID 46645811) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
PubChem CID46645811
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCC(=O)c2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-4-11-23-18-7-5-6-8-19(18)24(22(23)27)13-21(26)28-14-20(25)17-10-9-15(2)16(3)12-17/h5-10,12H,4,11,13-14H2,1-3H3
InChIKeyUKTXKWHPGKBFGK-UHFFFAOYSA-N
XLogP3.26
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 43034467
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 24649256
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 27601619
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 46567433
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 92518550
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetate
CID 98142860
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473896
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 46645908
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 18204631
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (CID 46645811) is [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is CCCn1c(=O)n(CC(=O)OCC(=O)c2ccc(C)c(C)c2)c2ccccc21.
What is the InChIKey of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The InChIKey is UKTXKWHPGKBFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-11-23-18-7-5-6-8-19(18)24(22(23)27)13-21(26)28-14-20(25)17-10-9-15(2)16(3)12-17/h5-10,12H,4,11,13-14H2,1-3H3.
What are the key properties of [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate has a molecular weight of 380.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 46645811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).