2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C19H20N2O3 — CID 122145732

IUPAC2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2
InChIKeyNVKYDYMABVGNKN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 122145732) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID122145732
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2
InChIKeyNVKYDYMABVGNKN-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 122145732) is 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is NVKYDYMABVGNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2.
What are the key properties of 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-naphthalen-2-ylpropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 122145732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).