2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C15H16F2N2O3 — CID 56815008

IUPAC2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O3/c16-9-4-5-10(11(17)7-9)13(20)8-19-14(21)12-3-1-2-6-18(12)15(19)22/h4-5,7,12-13,20H,1-3,6,8H2
InChIKeyPRMFRUQSQWKRHM-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.81
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 56815008) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID56815008
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O3/c16-9-4-5-10(11(17)7-9)13(20)8-19-14(21)12-3-1-2-6-18(12)15(19)22/h4-5,7,12-13,20H,1-3,6,8H2
InChIKeyPRMFRUQSQWKRHM-UHFFFAOYSA-N
XLogP1.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.81
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-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 56815008) is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is PRMFRUQSQWKRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-9-4-5-10(11(17)7-9)13(20)8-19-14(21)12-3-1-2-6-18(12)15(19)22/h4-5,7,12-13,20H,1-3,6,8H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 310.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 56815008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).