2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C19H19N3O2 — CID 119033774

IUPAC2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N3O2/c23-18-16-11-5-7-13-21(16)19(24)22(18)17(14-8-2-1-3-9-14)15-10-4-6-12-20-15/h1-4,6,8-10,12,16-17H,5,7,11,13H2
InChIKeyDQCGRKJNUZGYFU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds3

About 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 119033774) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID119033774
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H19N3O2/c23-18-16-11-5-7-13-21(16)19(24)22(18)17(14-8-2-1-3-9-14)15-10-4-6-12-20-15/h1-4,6,8-10,12,16-17H,5,7,11,13H2
InChIKeyDQCGRKJNUZGYFU-UHFFFAOYSA-N
XLogP2.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
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-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 119033774) is 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is DQCGRKJNUZGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-16-11-5-7-13-21(16)19(24)22(18)17(14-8-2-1-3-9-14)15-10-4-6-12-20-15/h1-4,6,8-10,12,16-17H,5,7,11,13H2.
What are the key properties of 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(pyridin-2-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 119033774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).