4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

C20H25N5O2S — CID 120877602

IUPAC4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1ccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)cc1
InChIInChI=1S/C20H25N5O2S/c1-23-9-8-22-19(23)17-12-21-7-10-24(17)20(27)14-11-18(26)25(13-14)15-3-5-16(28-2)6-4-15/h3-6,8-9,14,17,21H,7,10-13H2,1-2H3
InChIKeyPHWVEVAVHAPMBQ-UHFFFAOYSA-N
MW399.52 g/mol
LogP1.67
Rot. Bonds4

About 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one

4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (PubChem CID 120877602) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
PubChem CID120877602
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1ccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)cc1
InChIInChI=1S/C20H25N5O2S/c1-23-9-8-22-19(23)17-12-21-7-10-24(17)20(27)14-11-18(26)25(13-14)15-3-5-16(28-2)6-4-15/h3-6,8-9,14,17,21H,7,10-13H2,1-2H3
InChIKeyPHWVEVAVHAPMBQ-UHFFFAOYSA-N
XLogP1.67
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one 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

1-(2,3-dimethylphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120879288
1-(2-ethoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 120880661
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731708
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 120658628
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 120877640
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one (CID 120877602) is 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is CSc1ccc(N2CC(C(=O)N3CCNCC3c3nccn3C)CC2=O)cc1.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
The InChIKey is PHWVEVAVHAPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-23-9-8-22-19(23)17-12-21-7-10-24(17)20(27)14-11-18(26)25(13-14)15-3-5-16(28-2)6-4-15/h3-6,8-9,14,17,21H,7,10-13H2,1-2H3.
What are the key properties of 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one?
4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one has a molecular weight of 399.52 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 120877602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).