[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate

C23H25N3O4 — CID 27283261

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
SMILESCCCn1c(=O)n(CCC(=O)Oc2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-2-14-25-19-6-3-4-7-20(19)26(23(25)29)16-13-22(28)30-18-11-9-17(10-12-18)24-15-5-8-21(24)27/h3-4,6-7,9-12H,2,5,8,13-16H2,1H3
InChIKeyNRPPZFAVQZQDMZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.34
Rot. Bonds7

About [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate (PubChem CID 27283261) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
PubChem CID27283261
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
SMILESCCCn1c(=O)n(CCC(=O)Oc2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-2-14-25-19-6-3-4-7-20(19)26(23(25)29)16-13-22(28)30-18-11-9-17(10-12-18)24-15-5-8-21(24)27/h3-4,6-7,9-12H,2,5,8,13-16H2,1H3
InChIKeyNRPPZFAVQZQDMZ-UHFFFAOYSA-N
XLogP3.34
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(2,6-dichlorophenyl)acetate
CID 35544576
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35545606
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137306620
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(4-acetamidophenyl)acetate
CID 35545565
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
CID 75405912
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 18089247
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
CID 78818550
2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
CID 26686013
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 51256909

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate (CID 27283261) is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate is CCCn1c(=O)n(CCC(=O)Oc2ccc(N3CCCC3=O)cc2)c2ccccc21.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate?
The InChIKey is NRPPZFAVQZQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-14-25-19-6-3-4-7-20(19)26(23(25)29)16-13-22(28)30-18-11-9-17(10-12-18)24-15-5-8-21(24)27/h3-4,6-7,9-12H,2,5,8,13-16H2,1H3.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate has a molecular weight of 407.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 27283261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).