2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

C22H28N2O2 — CID 44599544

IUPAC2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N(C2C3CC4CC2CC(O)(C4)C3)CC2(c3ccccc3)CCCN12
InChIInChI=1S/C22H28N2O2/c25-20-23(19-16-9-15-10-17(19)13-21(26,11-15)12-16)14-22(7-4-8-24(20)22)18-5-2-1-3-6-18/h1-3,5-6,15-17,19,26H,4,7-14H2
InChIKeyZIFGCDFLQCUVPP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.35
Rot. Bonds2

About 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one

2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (PubChem CID 44599544) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
PubChem CID44599544
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N(C2C3CC4CC2CC(O)(C4)C3)CC2(c3ccccc3)CCCN12
InChIInChI=1S/C22H28N2O2/c25-20-23(19-16-9-15-10-17(19)13-21(26,11-15)12-16)14-22(7-4-8-24(20)22)18-5-2-1-3-6-18/h1-3,5-6,15-17,19,26H,4,7-14H2
InChIKeyZIFGCDFLQCUVPP-UHFFFAOYSA-N
XLogP3.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one (CID 44599544) is 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is O=C1N(C2C3CC4CC2CC(O)(C4)C3)CC2(c3ccccc3)CCCN12.
What is the InChIKey of 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
The InChIKey is ZIFGCDFLQCUVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20-23(19-16-9-15-10-17(19)13-21(26,11-15)12-16)14-22(7-4-8-24(20)22)18-5-2-1-3-6-18/h1-3,5-6,15-17,19,26H,4,7-14H2.
What are the key properties of 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one?
2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one has a molecular weight of 352.48 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-adamantyl)-7a-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 44599544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).