2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C18H24N4O2 — CID 11841880

IUPAC2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c23-17-16-7-4-8-21(16)18(24)22(17)14-11-19-9-12-20(13-10-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyNXSUCTUNEDZLOO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.24
Rot. Bonds4

About 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 11841880) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID11841880
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c23-17-16-7-4-8-21(16)18(24)22(17)14-11-19-9-12-20(13-10-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyNXSUCTUNEDZLOO-UHFFFAOYSA-N
XLogP1.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-{3-[4-(3-bromophenyl)-1-piperazinyl]propyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10835947
2-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 3587301
2-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 4052712
2-[3-(4-{4-nitrophenyl}-1-piperazinyl)propyl]tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 10667945
3-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,3-diazabicyclo[3.3.0]octane-2,4-dione
CID 4306767
2-{4-[4-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)butyl]-1-piperazinyl}benzonitrile
CID 10500060
2-[3-[4-(3-Aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10618325
2-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10496791
2-[[4-(4-Nitrophenyl)piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10594620
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one
CID 100798
2-Pyrrolidinone, 1-((4-phenyl-1-piperazinyl)methyl)-
CID 3021274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 11841880) is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is NXSUCTUNEDZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-16-7-4-8-21(16)18(24)22(17)14-11-19-9-12-20(13-10-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2.
What are the key properties of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 328.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 11841880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).