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

C15H16ClFN2O3 — CID 70420787

IUPAC2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOc1cc(N2C(=O)C3CCCC(C)N3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O3/c1-8-4-3-5-11-14(20)19(15(21)18(8)11)12-7-13(22-2)9(16)6-10(12)17/h6-8,11H,3-5H2,1-2H3
InChIKeySCHYTUQWHOSFRY-UHFFFAOYSA-N
MW326.76 g/mol
LogP3.20
Rot. Bonds2

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

2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 70420787) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID70420787
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.76 g/mol
Exact Mass326.08
IUPAC Name2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOc1cc(N2C(=O)C3CCCC(C)N3C2=O)c(F)cc1Cl
InChIInChI=1S/C15H16ClFN2O3/c1-8-4-3-5-11-14(20)19(15(21)18(8)11)12-7-13(22-2)9(16)6-10(12)17/h6-8,11H,3-5H2,1-2H3
InChIKeySCHYTUQWHOSFRY-UHFFFAOYSA-N
XLogP3.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[3-[(3S)-4-(4-chloro-3-fluoro-5-methoxy-phenyl)-3-methyl-piperazin-1-yl]-3-oxo-propyl] imidazolidine-2,4-dione
CID 132211289
(5R)-5-[(2S)-3-[4-(4-chloro-3-fluoro-5-methoxy-phenyl) piperazin-1-yl]-2-methyl-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211295
(5R)-5-[3-[(3S)-4-(4-chloro-3-fluoro-5-methoxy-phenyl)-3-methyl-piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211316
(5S)-5-[3-[(3S)-4-(4-chloro-3-fluoro-5-methoxy-phenyl)-3-methyl-piperazin-1-yl]-3-oxo-propyl]-5-cyclopropyl-imidazolidine-2,4-dione
CID 132211323
(5R)-5-[3-[(3S)-4-[4-chloro-3-(trifluoromethoxy) phenyl]-3-methyl-piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211328
5-[3-[4-(4-Chloro-3-fluoro-5-methoxy-phenyl) piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211344
5-[3-[(3S)-4-(4-chloro-3-fluoro-5-methoxy-phenyl)-3-methyl-piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211375
(5R)-5-[3-[4-(4-chloro-3-fluoro-5-methoxy-phenyl) piperazin-1-yl]-3-oxo-propyl] imidazolidine-2,4-dione
CID 132211416
(5R)-5-[3-[4-(4-chloro-3-methoxy-phenyl)-3-(trifluoromethyl) piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211425
5-[3-[(3S)-4-(4-chloro-3-fluoro-5-methoxy-phenyl)-3-methyl-piperazin-1-yl]-2-methyl-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132227293
2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 76322814
5-[3-[4-(4-Chloro-3-methoxy-phenyl)piperazin-1-yl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211281

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 70420787) is 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-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-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is COc1cc(N2C(=O)C3CCCC(C)N3C2=O)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is SCHYTUQWHOSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-8-4-3-5-11-14(20)19(15(21)18(8)11)12-7-13(22-2)9(16)6-10(12)17/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-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 3.20, 2 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-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 70420787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).