2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C15H16ClFN2O3 — CID 171984940

IUPAC2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOCc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O3/c1-22-8-9-6-13(11(17)7-10(9)16)19-14(20)12-4-2-3-5-18(12)15(19)21/h6-7,12H,2-5,8H2,1H3
InChIKeyOZGUSIRCLKUHBO-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 171984940) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID171984940
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.76 g/mol
Exact Mass326.08
IUPAC Name2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOCc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O3/c1-22-8-9-6-13(11(17)7-10(9)16)19-14(20)12-4-2-3-5-18(12)15(19)21/h6-7,12H,2-5,8H2,1H3
InChIKeyOZGUSIRCLKUHBO-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.95
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-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 171984940) is 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is COCc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1Cl.
What is the InChIKey of 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is OZGUSIRCLKUHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-22-8-9-6-13(11(17)7-10(9)16)19-14(20)12-4-2-3-5-18(12)15(19)21/h6-7,12H,2-5,8H2,1H3.
What are the key properties of 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 326.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 171984940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).