methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate

C22H25N3O5 — CID 55709096

IUPACmethyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(OCC(=O)OC)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-3-13-24-18-6-4-5-7-19(18)25(22(24)28)14-12-20(26)23-16-8-10-17(11-9-16)30-15-21(27)29-2/h4-11H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyAQCOGSUAVFNMOI-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.79
Rot. Bonds9

About methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate

methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate (PubChem CID 55709096) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
PubChem CID55709096
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Namemethyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(OCC(=O)OC)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O5/c1-3-13-24-18-6-4-5-7-19(18)25(22(24)28)14-12-20(26)23-16-8-10-17(11-9-16)30-15-21(27)29-2/h4-11H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyAQCOGSUAVFNMOI-UHFFFAOYSA-N
XLogP2.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38467641
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60570598
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 46483596
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate (CID 55709096) is methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate is CCCn1c(=O)n(CCC(=O)Nc2ccc(OCC(=O)OC)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate?
The InChIKey is AQCOGSUAVFNMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-3-13-24-18-6-4-5-7-19(18)25(22(24)28)14-12-20(26)23-16-8-10-17(11-9-16)30-15-21(27)29-2/h4-11H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate?
methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate has a molecular weight of 411.46 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 55709096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).