2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

C17H13FN2O2 — CID 4891187

IUPAC2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESO=C1C2Cc3ccccc3CN2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H13FN2O2/c18-13-6-3-7-14(9-13)20-16(21)15-8-11-4-1-2-5-12(11)10-19(15)17(20)22/h1-7,9,15H,8,10H2
InChIKeyTYDYBXAHAHZOSL-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.72
Rot. Bonds1

About 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 4891187) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID4891187
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESO=C1C2Cc3ccccc3CN2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H13FN2O2/c18-13-6-3-7-14(9-13)20-16(21)15-8-11-4-1-2-5-12(11)10-19(15)17(20)22/h1-7,9,15H,8,10H2
InChIKeyTYDYBXAHAHZOSL-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7632350
(10aS)-2-(4-methylsulfanylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7688638
4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic acid
CID 7082297
2-(4-acetylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 3788765
2-(3-fluorophenyl)-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82906161
4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoate
CID 7082296
4-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(4-fluorophenyl)benzamide
CID 7581383
2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 4897900
2-[2-(trifluoromethyl)phenyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 4907431
(10aR)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 92507578
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773613

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 4891187) is 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is O=C1C2Cc3ccccc3CN2C(=O)N1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is TYDYBXAHAHZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-13-6-3-7-14(9-13)20-16(21)15-8-11-4-1-2-5-12(11)10-19(15)17(20)22/h1-7,9,15H,8,10H2.
What are the key properties of 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 296.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 4891187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).