5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione

C21H26N4O2 — CID 47054902

IUPAC5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCn3cccc3C2c2ccccc2)C1=O
InChIInChI=1S/C21H26N4O2/c1-21(2)19(26)25(20(27)22-21)13-7-12-24-15-14-23-11-6-10-17(23)18(24)16-8-4-3-5-9-16/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,22,27)
InChIKeyGOFNJMDEASYZKN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.61
Rot. Bonds5

About 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione (PubChem CID 47054902) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione
PubChem CID47054902
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCN2CCn3cccc3C2c2ccccc2)C1=O
InChIInChI=1S/C21H26N4O2/c1-21(2)19(26)25(20(27)22-21)13-7-12-24-15-14-23-11-6-10-17(23)18(24)16-8-4-3-5-9-16/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,22,27)
InChIKeyGOFNJMDEASYZKN-UHFFFAOYSA-N
XLogP2.61
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione (CID 47054902) is 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCN2CCn3cccc3C2c2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is GOFNJMDEASYZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2)19(26)25(20(27)22-21)13-7-12-24-15-14-23-11-6-10-17(23)18(24)16-8-4-3-5-9-16/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,22,27).
What are the key properties of 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 366.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47054902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).