2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C21H24N4O2 — CID 11303020

IUPAC2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,19H,4,9-15H2
InChIKeyHNGJSVQCJBLLAQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.35
Rot. Bonds3

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

2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 11303020) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID11303020
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,19H,4,9-15H2
InChIKeyHNGJSVQCJBLLAQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
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 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 11303020) is 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CN1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is HNGJSVQCJBLLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,19H,4,9-15H2.
What are the key properties of 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 364.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-naphthalen-1-ylpiperazin-1-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 11303020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).