methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate

C24H24N4O5 — CID 2978866

IUPACmethyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1
InChIInChI=1S/C24H24N4O5/c1-33-23(31)15-6-8-16(9-7-15)28-21(29)14-20(22(28)30)26-12-10-17(11-13-26)27-19-5-3-2-4-18(19)25-24(27)32/h2-9,17,20H,10-14H2,1H3,(H,25,32)
InChIKeyKFAVZMHCPWCCKM-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate

methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate (PubChem CID 2978866) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate
PubChem CID2978866
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Namemethyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1
InChIInChI=1S/C24H24N4O5/c1-33-23(31)15-6-8-16(9-7-15)28-21(29)14-20(22(28)30)26-12-10-17(11-13-26)27-19-5-3-2-4-18(19)25-24(27)32/h2-9,17,20H,10-14H2,1H3,(H,25,32)
InChIKeyKFAVZMHCPWCCKM-UHFFFAOYSA-N
XLogP2.09
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-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

Methyl 4-((((((2R,5S)-5-(((2S)-2-(aminomethyl)pyrrolidin-1-YL)carbonyl)pyrrolidin-2-YL)methyl)amino)carbonyl)amino)benzoate
CID 11840913
methyl 4-[({[(2R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate
CID 11596451
Ethyl 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2877634
ethyl 4-(2,5-dioxo-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidin-1-yl)benzoate
CID 5290691
Ethyl 4-{[(4-benzyl-1-piperazinyl)carbonyl]amino}benzoate
CID 3726372
Methyl 4-(3-(1-propionylpiperidin-4-yl)ureido)benzoate
CID 49783009
Methyl 4-(isoindoline-2-carboxamido)benzoate
CID 68748359
Benzyl 2-{[4-(methoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
CID 4281974
Ethyl 4-{[(4-cyclohexyl-1-piperazinyl)carbonyl]amino}benzoate
CID 1246768
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
CID 2100528
Ethyl 4-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 2574766
methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoate
CID 2787705

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate (CID 2978866) is methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate is COC(=O)c1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1.
What is the InChIKey of methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate?
The InChIKey is KFAVZMHCPWCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-33-23(31)15-6-8-16(9-7-15)28-21(29)14-20(22(28)30)26-12-10-17(11-13-26)27-19-5-3-2-4-18(19)25-24(27)32/h2-9,17,20H,10-14H2,1H3,(H,25,32).
What are the key properties of methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate?
methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate has a molecular weight of 448.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2,5-dioxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidin-1-yl]benzoate is sourced from PubChem (CID 2978866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).