3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

C20H23N5O3 — CID 120880036

IUPAC3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-24-8-7-22-18(24)16-12-21-6-9-25(16)20(28)14-4-2-13(3-5-14)10-15-11-17(26)23-19(15)27/h2-5,7-8,15-16,21H,6,9-12H2,1H3,(H,23,26,27)
InChIKeyRWTUBYUGDCMZBR-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.41
Rot. Bonds4

About 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 120880036) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID120880036
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C20H23N5O3/c1-24-8-7-22-18(24)16-12-21-6-9-25(16)20(28)14-4-2-13(3-5-14)10-15-11-17(26)23-19(15)27/h2-5,7-8,15-16,21H,6,9-12H2,1H3,(H,23,26,27)
InChIKeyRWTUBYUGDCMZBR-UHFFFAOYSA-N
XLogP0.41
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877238
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120878645
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
CID 120879292
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (CID 120880036) is 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is Cn1ccnc1C1CNCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is RWTUBYUGDCMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-8-7-22-18(24)16-12-21-6-9-25(16)20(28)14-4-2-13(3-5-14)10-15-11-17(26)23-19(15)27/h2-5,7-8,15-16,21H,6,9-12H2,1H3,(H,23,26,27).
What are the key properties of 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 381.44 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 120880036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).